N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-(2-phenylacetyl)piperidine-3-carboxamide

C27H39N5O4 — CID 55605539

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCCCCCN(C(=O)C1CCCN(C(=O)Cc2ccccc2)C1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C27H39N5O4/c1-3-5-10-17-31(23-24(28)32(16-6-4-2)27(36)29-25(23)34)26(35)21-14-11-15-30(19-21)22(33)18-20-12-8-7-9-13-20/h7-9,12-13,21H,3-6,10-11,14-19,28H2,1-2H3,(H,29,34,36)
InChIKeyPYHBCOYTRVNTNC-UHFFFAOYSA-N
MW497.64 g/mol
LogP2.92
Rot. Bonds11

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-(2-phenylacetyl)piperidine-3-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 55605539) has the molecular formula C27H39N5O4 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID55605539
Molecular FormulaC27H39N5O4
Molecular Weight497.64 g/mol
Exact Mass497.30
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCCCCCN(C(=O)C1CCCN(C(=O)Cc2ccccc2)C1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C27H39N5O4/c1-3-5-10-17-31(23-24(28)32(16-6-4-2)27(36)29-25(23)34)26(35)21-14-11-15-30(19-21)22(33)18-20-12-8-7-9-13-20/h7-9,12-13,21H,3-6,10-11,14-19,28H2,1-2H3,(H,29,34,36)
InChIKeyPYHBCOYTRVNTNC-UHFFFAOYSA-N
XLogP2.92
TPSA121.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentylcyclopentanecarboxamide
CID 8838842
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclobutanecarboxamide
CID 8914359
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-benzyl-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 42999728
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-oxo-N-pentyl-1-phenylpyrrolidine-3-carboxamide
CID 55611535
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylcyclobutanecarboxamide
CID 8839038
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-9-oxo-N-pentylbicyclo[3.3.1]nonane-3-carboxamide
CID 46797192
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55755418
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 26186059
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)cyclobutanecarboxamide
CID 7918639
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 16564152
benzyl 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate
CID 42987801
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 43038249

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 55605539) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-(2-phenylacetyl)piperidine-3-carboxamide is CCCCCN(C(=O)C1CCCN(C(=O)Cc2ccccc2)C1)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is PYHBCOYTRVNTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O4/c1-3-5-10-17-31(23-24(28)32(16-6-4-2)27(36)29-25(23)34)26(35)21-14-11-15-30(19-21)22(33)18-20-12-8-7-9-13-20/h7-9,12-13,21H,3-6,10-11,14-19,28H2,1-2H3,(H,29,34,36).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-(2-phenylacetyl)piperidine-3-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 497.64 g/mol, XLogP of 2.92, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 55605539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).