N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

C16H27N5O2 — CID 75499708

IUPACN-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESCC(C)C(=O)NCCCNC(=O)N1CCCCC1c1cn[nH]c1
InChIInChI=1S/C16H27N5O2/c1-12(2)15(22)17-7-5-8-18-16(23)21-9-4-3-6-14(21)13-10-19-20-11-13/h10-12,14H,3-9H2,1-2H3,(H,17,22)(H,18,23)(H,19,20)
InChIKeyQQUUGCCKQOAZJH-UHFFFAOYSA-N
MW321.43 g/mol
LogP1.81
Rot. Bonds6

About N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 75499708) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
PubChem CID75499708
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESCC(C)C(=O)NCCCNC(=O)N1CCCCC1c1cn[nH]c1
InChIInChI=1S/C16H27N5O2/c1-12(2)15(22)17-7-5-8-18-16(23)21-9-4-3-6-14(21)13-10-19-20-11-13/h10-12,14H,3-9H2,1-2H3,(H,17,22)(H,18,23)(H,19,20)
InChIKeyQQUUGCCKQOAZJH-UHFFFAOYSA-N
XLogP1.81
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (CID 75499708) is N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is CC(C)C(=O)NCCCNC(=O)N1CCCCC1c1cn[nH]c1.
What is the InChIKey of N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is QQUUGCCKQOAZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-12(2)15(22)17-7-5-8-18-16(23)21-9-4-3-6-14(21)13-10-19-20-11-13/h10-12,14H,3-9H2,1-2H3,(H,17,22)(H,18,23)(H,19,20).
What are the key properties of N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 75499708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).