1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperidine-4-carboxamide

C17H21N5O2 — CID 110121733

IUPAC1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperidine-4-carboxamide
SMILESNCc1cnn(-c2ccccc2C(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C17H21N5O2/c18-9-12-10-20-22(11-12)15-4-2-1-3-14(15)17(24)21-7-5-13(6-8-21)16(19)23/h1-4,10-11,13H,5-9,18H2,(H2,19,23)
InChIKeyKXKBULAFCFKSLU-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.67
Rot. Bonds4

About 1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperidine-4-carboxamide

1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperidine-4-carboxamide (PubChem CID 110121733) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperidine-4-carboxamide
PubChem CID110121733
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperidine-4-carboxamide
SMILESNCc1cnn(-c2ccccc2C(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C17H21N5O2/c18-9-12-10-20-22(11-12)15-4-2-1-3-14(15)17(24)21-7-5-13(6-8-21)16(19)23/h1-4,10-11,13H,5-9,18H2,(H2,19,23)
InChIKeyKXKBULAFCFKSLU-UHFFFAOYSA-N
XLogP0.67
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperidine-4-carboxamide (CID 110121733) is 1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperidine-4-carboxamide is NCc1cnn(-c2ccccc2C(=O)N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperidine-4-carboxamide?
The InChIKey is KXKBULAFCFKSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c18-9-12-10-20-22(11-12)15-4-2-1-3-14(15)17(24)21-7-5-13(6-8-21)16(19)23/h1-4,10-11,13H,5-9,18H2,(H2,19,23).
What are the key properties of 1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperidine-4-carboxamide?
1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperidine-4-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 110121733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).