N-cyclopropyl-1-[1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide

C21H31N5O3 — CID 56869953

IUPACN-cyclopropyl-1-[1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1ncc(CC(=O)N2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)c(=O)[nH]1
InChIInChI=1S/C21H31N5O3/c1-14-22-12-16(21(29)23-14)11-19(27)25-9-6-18(7-10-25)26-8-2-3-15(13-26)20(28)24-17-4-5-17/h12,15,17-18H,2-11,13H2,1H3,(H,24,28)(H,22,23,29)
InChIKeyHNMCHOFZNUKTNE-UHFFFAOYSA-N
MW401.51 g/mol
LogP0.60
Rot. Bonds5

About N-cyclopropyl-1-[1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide

N-cyclopropyl-1-[1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 56869953) has the molecular formula C21H31N5O3 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID56869953
Molecular FormulaC21H31N5O3
Molecular Weight401.51 g/mol
Exact Mass401.24
IUPAC NameN-cyclopropyl-1-[1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1ncc(CC(=O)N2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)c(=O)[nH]1
InChIInChI=1S/C21H31N5O3/c1-14-22-12-16(21(29)23-14)11-19(27)25-9-6-18(7-10-25)26-8-2-3-15(13-26)20(28)24-17-4-5-17/h12,15,17-18H,2-11,13H2,1H3,(H,24,28)(H,22,23,29)
InChIKeyHNMCHOFZNUKTNE-UHFFFAOYSA-N
XLogP0.60
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-1-[1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-Cyclopropyl-9-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72926419
(4aS*,8aR*)-6-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-1-propyloctahydro-1,6-naphthyridin-2(1H)-one
CID 56906413
2-Ethyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70731386
N-cyclopropyl-1'-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-1,4'-bipiperidine-3-carboxamide
CID 56760168
5-[2-(3,9-diazaspiro[5.5]undec-3-yl)-2-oxoethyl]-2-methyl-4(3H)-pyrimidinone hydrochloride
CID 56871392
2-methyl-5-{2-oxo-2-[4-(1-piperidinylcarbonyl)-1-piperidinyl]ethyl}-4(3H)-pyrimidinone
CID 56906487
2-methyl-5-{[3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidin-1'-yl]carbonyl}pyrimidin-4(3H)-one
CID 70716004
2-Cyclopentyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70783120
2-(Cyclopropylmethyl)-9-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72868469
(3S)-N-cyclopropyl-1-[1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95230881
(3R)-N-cyclopropyl-1-[1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95230882
(3S)-N-cyclopropyl-1-[1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95550140

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide (CID 56869953) is N-cyclopropyl-1-[1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide is Cc1ncc(CC(=O)N2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)c(=O)[nH]1.
What is the InChIKey of N-cyclopropyl-1-[1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is HNMCHOFZNUKTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3/c1-14-22-12-16(21(29)23-14)11-19(27)25-9-6-18(7-10-25)26-8-2-3-15(13-26)20(28)24-17-4-5-17/h12,15,17-18H,2-11,13H2,1H3,(H,24,28)(H,22,23,29).
What are the key properties of N-cyclopropyl-1-[1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide?
N-cyclopropyl-1-[1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56869953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).