1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide

C16H23N3O — CID 43280219

IUPAC1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccccc2CNC2CC2)C1
InChIInChI=1S/C16H23N3O/c17-16(20)13-5-3-9-19(11-13)15-6-2-1-4-12(15)10-18-14-7-8-14/h1-2,4,6,13-14,18H,3,5,7-11H2,(H2,17,20)
InChIKeyQWAHUXFBZCCLOX-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.64
Rot. Bonds5

About 1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide

1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide (PubChem CID 43280219) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide
PubChem CID43280219
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccccc2CNC2CC2)C1
InChIInChI=1S/C16H23N3O/c17-16(20)13-5-3-9-19(11-13)15-6-2-1-4-12(15)10-18-14-7-8-14/h1-2,4,6,13-14,18H,3,5,7-11H2,(H2,17,20)
InChIKeyQWAHUXFBZCCLOX-UHFFFAOYSA-N
XLogP1.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(cyclopropylamino)methyl]phenyl]piperidin-3-ol
CID 61434347
1-[2-[(prop-2-enoylamino)methyl]phenyl]piperidine-3-carboxamide
CID 146106982
(3S)-1-[2-[[(5-chloropyrimidin-2-yl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 97220549
1-[2-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]phenyl]piperidine-3-carboxamide
CID 75371651
1-[2-[[(5-methyl-2-pyridinyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
CID 86779320
1-(2,6-diethylphenyl)piperidine-3-carboxamide
CID 117008267
1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 47069872
1-[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 167812213
1-[2-[[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]methyl]phenyl]piperidine-3-carboxamide
CID 166190432
1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidine-3-carboxamide
CID 114847185
1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide
CID 78935941
N-[(2-thiomorpholin-4-ylphenyl)methyl]cyclopropanamine
CID 43281422

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide (CID 43280219) is 1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccccc2CNC2CC2)C1.
What is the InChIKey of 1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide?
The InChIKey is QWAHUXFBZCCLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-16(20)13-5-3-9-19(11-13)15-6-2-1-4-12(15)10-18-14-7-8-14/h1-2,4,6,13-14,18H,3,5,7-11H2,(H2,17,20).
What are the key properties of 1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide?
1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43280219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).