N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide

C18H29N5O3 — CID 56884725

IUPACN-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCCN1CCC(N[C@@H]2CC[C@@H]2NC(=O)c2cc(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C18H29N5O3/c1-4-23-9-7-12(8-10-23)19-13-5-6-14(13)20-17(25)15-11-16(24)22(3)18(26)21(15)2/h11-14,19H,4-10H2,1-3H3,(H,20,25)/t13-,14+/m1/s1
InChIKeySEAUKPVUEYRSAE-KGLIPLIRSA-N
MW363.46 g/mol
LogP-0.58
Rot. Bonds5

About N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide

N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 56884725) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
PubChem CID56884725
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC NameN-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCCN1CCC(N[C@@H]2CC[C@@H]2NC(=O)c2cc(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C18H29N5O3/c1-4-23-9-7-12(8-10-23)19-13-5-6-14(13)20-17(25)15-11-16(24)22(3)18(26)21(15)2/h11-14,19H,4-10H2,1-3H3,(H,20,25)/t13-,14+/m1/s1
InChIKeySEAUKPVUEYRSAE-KGLIPLIRSA-N
XLogP-0.58
TPSA88.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide with MolForge

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Related Compounds

N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 21204487
N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide
CID 71654889
2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide
CID 110698284
1,3-Dimethyl-6-[[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56796823
1,3-Dimethyl-6-[[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56821553
N-butyl-2-(4-methyl-2,6-dioxo-3-pentylpyrimidin-1-yl)acetamide
CID 137640869
N-cyclohexyl-2-(4-methyl-2,6-dioxo-3-pentylpyrimidin-1-yl)acetamide
CID 137644281
6-(3-Aminopiperidin-1-yl)-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
CID 132372620
2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 164633051
6-(3-aminopiperidino)-3-methyl-2,4(1H,3H)-pyrimidinedione
CID 56770224
6-(4-Aminopiperidin-1-yl)-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 56770223
N-(5-diethylaminopentan-2-yl)-2,6-dioxo-3H-pyrimidine-4-carboxamide
CID 301456

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide (CID 56884725) is N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide is CCN1CCC(N[C@@H]2CC[C@@H]2NC(=O)c2cc(=O)n(C)c(=O)n2C)CC1.
What is the InChIKey of N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is SEAUKPVUEYRSAE-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-4-23-9-7-12(8-10-23)19-13-5-6-14(13)20-17(25)15-11-16(24)22(3)18(26)21(15)2/h11-14,19H,4-10H2,1-3H3,(H,20,25)/t13-,14+/m1/s1.
What are the key properties of N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of -0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 56884725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).