N-[(2-aminopyrimidin-5-yl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide

C18H27N5O2 — CID 72920830

IUPACN-[(2-aminopyrimidin-5-yl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1cnc(N)nc1)C(=O)C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C18H27N5O2/c1-22(12-13-10-20-18(19)21-11-13)16(24)15-6-8-23(9-7-15)17(25)14-4-2-3-5-14/h10-11,14-15H,2-9,12H2,1H3,(H2,19,20,21)
InChIKeyXHKLGBFGUZMCSS-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.45
Rot. Bonds4

About N-[(2-aminopyrimidin-5-yl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide

N-[(2-aminopyrimidin-5-yl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide (PubChem CID 72920830) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[(2-aminopyrimidin-5-yl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-aminopyrimidin-5-yl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
PubChem CID72920830
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-[(2-aminopyrimidin-5-yl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1cnc(N)nc1)C(=O)C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C18H27N5O2/c1-22(12-13-10-20-18(19)21-11-13)16(24)15-6-8-23(9-7-15)17(25)14-4-2-3-5-14/h10-11,14-15H,2-9,12H2,1H3,(H2,19,20,21)
InChIKeyXHKLGBFGUZMCSS-UHFFFAOYSA-N
XLogP1.45
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminopyrimidin-5-yl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-aminopyrimidin-5-yl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide (CID 72920830) is N-[(2-aminopyrimidin-5-yl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-aminopyrimidin-5-yl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-aminopyrimidin-5-yl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide is CN(Cc1cnc(N)nc1)C(=O)C1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of N-[(2-aminopyrimidin-5-yl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is XHKLGBFGUZMCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-22(12-13-10-20-18(19)21-11-13)16(24)15-6-8-23(9-7-15)17(25)14-4-2-3-5-14/h10-11,14-15H,2-9,12H2,1H3,(H2,19,20,21).
What are the key properties of N-[(2-aminopyrimidin-5-yl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide?
N-[(2-aminopyrimidin-5-yl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminopyrimidin-5-yl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 72920830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).