N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C18H27N5O4 — CID 56897265

IUPACN-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)N1CCC(N[C@@H]2CC[C@@H]2NC(=O)Cc2c[nH]c(=O)n(C)c2=O)CC1
InChIInChI=1S/C18H27N5O4/c1-11(24)23-7-5-13(6-8-23)20-14-3-4-15(14)21-16(25)9-12-10-19-18(27)22(2)17(12)26/h10,13-15,20H,3-9H2,1-2H3,(H,19,27)(H,21,25)/t14-,15+/m1/s1
InChIKeyBMKVQZNTOXGUAR-CABCVRRESA-N
MW377.45 g/mol
LogP-1.14
Rot. Bonds5

About N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 56897265) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID56897265
Molecular FormulaC18H27N5O4
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC NameN-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)N1CCC(N[C@@H]2CC[C@@H]2NC(=O)Cc2c[nH]c(=O)n(C)c2=O)CC1
InChIInChI=1S/C18H27N5O4/c1-11(24)23-7-5-13(6-8-23)20-14-3-4-15(14)21-16(25)9-12-10-19-18(27)22(2)17(12)26/h10,13-15,20H,3-9H2,1-2H3,(H,19,27)(H,21,25)/t14-,15+/m1/s1
InChIKeyBMKVQZNTOXGUAR-CABCVRRESA-N
XLogP-1.14
TPSA116.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 56897265) is N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is CC(=O)N1CCC(N[C@@H]2CC[C@@H]2NC(=O)Cc2c[nH]c(=O)n(C)c2=O)CC1.
What is the InChIKey of N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is BMKVQZNTOXGUAR-CABCVRRESA-N. The full InChI is InChI=1S/C18H27N5O4/c1-11(24)23-7-5-13(6-8-23)20-14-3-4-15(14)21-16(25)9-12-10-19-18(27)22(2)17(12)26/h10,13-15,20H,3-9H2,1-2H3,(H,19,27)(H,21,25)/t14-,15+/m1/s1.
What are the key properties of N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 377.45 g/mol, XLogP of -1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 56897265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).