4-amino-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxamide

C16H21N5O — CID 166369200

IUPAC4-amino-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1(N)CCN(Cc2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C16H21N5O/c17-15(22)16(18)6-8-21(9-7-16)11-13-10-14(20-19-13)12-4-2-1-3-5-12/h1-5,10H,6-9,11,18H2,(H2,17,22)(H,19,20)
InChIKeyMERIWCJHDQXYDX-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.86
Rot. Bonds4

About 4-amino-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxamide

4-amino-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 166369200) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-amino-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-amino-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID166369200
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name4-amino-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1(N)CCN(Cc2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C16H21N5O/c17-15(22)16(18)6-8-21(9-7-16)11-13-10-14(20-19-13)12-4-2-1-3-5-12/h1-5,10H,6-9,11,18H2,(H2,17,22)(H,19,20)
InChIKeyMERIWCJHDQXYDX-UHFFFAOYSA-N
XLogP0.86
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 4-amino-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxamide (CID 166369200) is 4-amino-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-amino-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-amino-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxamide is NC(=O)C1(N)CCN(Cc2cc(-c3ccccc3)n[nH]2)CC1.
What is the InChIKey of 4-amino-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is MERIWCJHDQXYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c17-15(22)16(18)6-8-21(9-7-16)11-13-10-14(20-19-13)12-4-2-1-3-5-12/h1-5,10H,6-9,11,18H2,(H2,17,22)(H,19,20).
What are the key properties of 4-amino-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxamide?
4-amino-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 166369200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).