N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(1,3-benzoxazol-2-yl)-N-(2-methylpropyl)piperidine-4-carboxamide

C25H34N6O4 — CID 30137063

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(1,3-benzoxazol-2-yl)-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CN(C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C25H34N6O4/c1-15(2)13-30(20-21(26)31(14-16(3)4)24(34)28-22(20)32)23(33)17-9-11-29(12-10-17)25-27-18-7-5-6-8-19(18)35-25/h5-8,15-17H,9-14,26H2,1-4H3,(H,28,32,34)
InChIKeyVZXLSAAPNKZGKQ-UHFFFAOYSA-N
MW482.59 g/mol
LogP2.82
Rot. Bonds7

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(1,3-benzoxazol-2-yl)-N-(2-methylpropyl)piperidine-4-carboxamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(1,3-benzoxazol-2-yl)-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 30137063) has the molecular formula C25H34N6O4 and a molecular weight of 482.59 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(1,3-benzoxazol-2-yl)-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(1,3-benzoxazol-2-yl)-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID30137063
Molecular FormulaC25H34N6O4
Molecular Weight482.59 g/mol
Exact Mass482.26
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(1,3-benzoxazol-2-yl)-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CN(C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C25H34N6O4/c1-15(2)13-30(20-21(26)31(14-16(3)4)24(34)28-22(20)32)23(33)17-9-11-29(12-10-17)25-27-18-7-5-6-8-19(18)35-25/h5-8,15-17H,9-14,26H2,1-4H3,(H,28,32,34)
InChIKeyVZXLSAAPNKZGKQ-UHFFFAOYSA-N
XLogP2.82
TPSA130.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 29298957
(3R)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8016898
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 43024714
N-(1-aminopropan-2-yl)-1-(1,3-benzoxazol-2-yl)-N-methylpiperidine-4-carboxamide;dihydrochloride
CID 119584379
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-methyl-N-(2-methylpropyl)butanamide
CID 31288285
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 30748197
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 2558690
1-(1,3-benzoxazol-2-yl)-N-butyl-N-phenylpiperidine-4-carboxamide
CID 24584534
1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 26009021
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 43059539
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide
CID 29299004
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 55383031

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(1,3-benzoxazol-2-yl)-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(1,3-benzoxazol-2-yl)-N-(2-methylpropyl)piperidine-4-carboxamide (CID 30137063) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(1,3-benzoxazol-2-yl)-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(1,3-benzoxazol-2-yl)-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(1,3-benzoxazol-2-yl)-N-(2-methylpropyl)piperidine-4-carboxamide is CC(C)CN(C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(1,3-benzoxazol-2-yl)-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is VZXLSAAPNKZGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O4/c1-15(2)13-30(20-21(26)31(14-16(3)4)24(34)28-22(20)32)23(33)17-9-11-29(12-10-17)25-27-18-7-5-6-8-19(18)35-25/h5-8,15-17H,9-14,26H2,1-4H3,(H,28,32,34).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(1,3-benzoxazol-2-yl)-N-(2-methylpropyl)piperidine-4-carboxamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(1,3-benzoxazol-2-yl)-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 482.59 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(1,3-benzoxazol-2-yl)-N-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 30137063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).