N-propan-2-yl-1-[1-[4-(1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]piperidine-4-carboxamide

C21H35N5O2 — CID 56744883

IUPACN-propan-2-yl-1-[1-[4-(1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C2CCN(C(=O)CCCc3cn[nH]c3)CC2)CC1
InChIInChI=1S/C21H35N5O2/c1-16(2)24-21(28)18-6-10-25(11-7-18)19-8-12-26(13-9-19)20(27)5-3-4-17-14-22-23-15-17/h14-16,18-19H,3-13H2,1-2H3,(H,22,23)(H,24,28)
InChIKeyPEFZQMSKYLVTQM-UHFFFAOYSA-N
MW389.54 g/mol
LogP1.96
Rot. Bonds7

About N-propan-2-yl-1-[1-[4-(1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]piperidine-4-carboxamide

N-propan-2-yl-1-[1-[4-(1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 56744883) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-propan-2-yl-1-[1-[4-(1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-[1-[4-(1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]piperidine-4-carboxamide
PubChem CID56744883
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC NameN-propan-2-yl-1-[1-[4-(1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C2CCN(C(=O)CCCc3cn[nH]c3)CC2)CC1
InChIInChI=1S/C21H35N5O2/c1-16(2)24-21(28)18-6-10-25(11-7-18)19-8-12-26(13-9-19)20(27)5-3-4-17-14-22-23-15-17/h14-16,18-19H,3-13H2,1-2H3,(H,22,23)(H,24,28)
InChIKeyPEFZQMSKYLVTQM-UHFFFAOYSA-N
XLogP1.96
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-propan-2-yl-1-[1-[4-(1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 24790680
1-(cyclobutylcarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-4-piperidinecarboxamide
CID 72851681
4-[3-(N-6-aminocaproyl)aminopropyl]-pyrazole
CID 22754935
1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 25381889
1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56872537
N,N-dimethyl-1-[4-(1H-pyrazol-4-yl)butanoyl]-4-azepanamine
CID 56908749
1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 72851912
N-[(3R*,4S*)-4-cyclopropyl-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-4-(1H-pyrazol-4-yl)butanamide
CID 72866841
N-(cis-4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide
CID 74245889
4-(1H-Pyrazol-4-YL)-N-{2-[(2S)-pyrrolidin-2-YL]ethyl}butanamide
CID 74247815
N-[2-Methyl-2-(4-methylpiperazin-1-YL)propyl]-3-(1H-pyrazol-4-YL)propanamide
CID 124206842
N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide
CID 125162490

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-[1-[4-(1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-propan-2-yl-1-[1-[4-(1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]piperidine-4-carboxamide (CID 56744883) is N-propan-2-yl-1-[1-[4-(1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-[1-[4-(1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-propan-2-yl-1-[1-[4-(1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]piperidine-4-carboxamide is CC(C)NC(=O)C1CCN(C2CCN(C(=O)CCCc3cn[nH]c3)CC2)CC1.
What is the InChIKey of N-propan-2-yl-1-[1-[4-(1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is PEFZQMSKYLVTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-16(2)24-21(28)18-6-10-25(11-7-18)19-8-12-26(13-9-19)20(27)5-3-4-17-14-22-23-15-17/h14-16,18-19H,3-13H2,1-2H3,(H,22,23)(H,24,28).
What are the key properties of N-propan-2-yl-1-[1-[4-(1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]piperidine-4-carboxamide?
N-propan-2-yl-1-[1-[4-(1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[1-[4-(1H-pyrazol-4-yl)butanoyl]piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 56744883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).