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

C16H21N3O2 — CID 146106982

IUPAC1-[2-[(prop-2-enoylamino)methyl]phenyl]piperidine-3-carboxamide
SMILESC=CC(=O)NCc1ccccc1N1CCCC(C(N)=O)C1
InChIInChI=1S/C16H21N3O2/c1-2-15(20)18-10-12-6-3-4-8-14(12)19-9-5-7-13(11-19)16(17)21/h2-4,6,8,13H,1,5,7,9-11H2,(H2,17,21)(H,18,20)
InChIKeyBYMKCXPARRALAT-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.19
Rot. Bonds5

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

1-[2-[(prop-2-enoylamino)methyl]phenyl]piperidine-3-carboxamide (PubChem CID 146106982) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[2-[(prop-2-enoylamino)methyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(prop-2-enoylamino)methyl]phenyl]piperidine-3-carboxamide
PubChem CID146106982
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[2-[(prop-2-enoylamino)methyl]phenyl]piperidine-3-carboxamide
SMILESC=CC(=O)NCc1ccccc1N1CCCC(C(N)=O)C1
InChIInChI=1S/C16H21N3O2/c1-2-15(20)18-10-12-6-3-4-8-14(12)19-9-5-7-13(11-19)16(17)21/h2-4,6,8,13H,1,5,7,9-11H2,(H2,17,21)(H,18,20)
InChIKeyBYMKCXPARRALAT-UHFFFAOYSA-N
XLogP1.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]phenyl]piperidine-3-carboxamide
CID 75371651
1-[2-[(cyclopropylamino)methyl]phenyl]piperidine-3-carboxamide
CID 43280219
(3S)-1-[2-[[(5-chloropyrimidin-2-yl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 97220549
1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 154865397
1-[2-[[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]methyl]phenyl]piperidine-3-carboxamide
CID 166190432
1-[2-[[(5-methyl-2-pyridinyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
CID 86779320
1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 47069872
1-(2,6-diethylphenyl)piperidine-3-carboxamide
CID 117008267
1-[2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 167812213
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
(3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
CID 94531394

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(prop-2-enoylamino)methyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[(prop-2-enoylamino)methyl]phenyl]piperidine-3-carboxamide (CID 146106982) is 1-[2-[(prop-2-enoylamino)methyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(prop-2-enoylamino)methyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[(prop-2-enoylamino)methyl]phenyl]piperidine-3-carboxamide is C=CC(=O)NCc1ccccc1N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[2-[(prop-2-enoylamino)methyl]phenyl]piperidine-3-carboxamide?
The InChIKey is BYMKCXPARRALAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-15(20)18-10-12-6-3-4-8-14(12)19-9-5-7-13(11-19)16(17)21/h2-4,6,8,13H,1,5,7,9-11H2,(H2,17,21)(H,18,20).
What are the key properties of 1-[2-[(prop-2-enoylamino)methyl]phenyl]piperidine-3-carboxamide?
1-[2-[(prop-2-enoylamino)methyl]phenyl]piperidine-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(prop-2-enoylamino)methyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 146106982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).