2-[4-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide

C21H27N5O3 — CID 174937634

IUPAC2-[4-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(C2CC2NCC2CCN(c3ncc(C(N)=O)c(=O)[nH]3)CC2)cc1
InChIInChI=1S/C21H27N5O3/c1-29-15-4-2-14(3-5-15)16-10-18(16)23-11-13-6-8-26(9-7-13)21-24-12-17(19(22)27)20(28)25-21/h2-5,12-13,16,18,23H,6-11H2,1H3,(H2,22,27)(H,24,25,28)
InChIKeyWYESPGGEVCSYAX-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.24
Rot. Bonds7

About 2-[4-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide

2-[4-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 174937634) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[4-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID174937634
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name2-[4-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(C2CC2NCC2CCN(c3ncc(C(N)=O)c(=O)[nH]3)CC2)cc1
InChIInChI=1S/C21H27N5O3/c1-29-15-4-2-14(3-5-15)16-10-18(16)23-11-13-6-8-26(9-7-13)21-24-12-17(19(22)27)20(28)25-21/h2-5,12-13,16,18,23H,6-11H2,1H3,(H2,22,27)(H,24,25,28)
InChIKeyWYESPGGEVCSYAX-UHFFFAOYSA-N
XLogP1.24
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone
CID 77144981
6-[4-(4-methoxybenzoyl)piperidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137268017
tert-butyl 4-[[[(2R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 138722566
tert-butyl 4-[[[(1S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 70810888
4-hydroxy-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide
CID 175362326
4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide
CID 174857997
piperidin-4-ylmethyl 4-fluoro-4-[[[2-[6-(4-methoxyphenyl)-3-pyridinyl]cyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 130453558
2-(2-aminophenyl)-4-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]sulfonylbenzamide
CID 175362384
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide
CID 118304398
N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide
CID 70810946
[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-(4-fluoropiperidin-1-yl)methanone
CID 171343910
3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid
CID 66571126

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-[4-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 174937634) is 2-[4-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide is COc1ccc(C2CC2NCC2CCN(c3ncc(C(N)=O)c(=O)[nH]3)CC2)cc1.
What is the InChIKey of 2-[4-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is WYESPGGEVCSYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-29-15-4-2-14(3-5-15)16-10-18(16)23-11-13-6-8-26(9-7-13)21-24-12-17(19(22)27)20(28)25-21/h2-5,12-13,16,18,23H,6-11H2,1H3,(H2,22,27)(H,24,25,28).
What are the key properties of 2-[4-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-[4-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[2-(4-methoxyphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 174937634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).