1-[2-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]phenyl]piperidine-3-carboxamide

C20H29N3O2 — CID 75371651

IUPAC1-[2-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]phenyl]piperidine-3-carboxamide
SMILESCC(C)(C)/C=C/C(=O)NCc1ccccc1N1CCCC(C(N)=O)C1
InChIInChI=1S/C20H29N3O2/c1-20(2,3)11-10-18(24)22-13-15-7-4-5-9-17(15)23-12-6-8-16(14-23)19(21)25/h4-5,7,9-11,16H,6,8,12-14H2,1-3H3,(H2,21,25)(H,22,24)/b11-10+
InChIKeyBLBUSWWPGAGKMX-ZHACJKMWSA-N
MW343.47 g/mol
LogP2.61
Rot. Bonds5

About 1-[2-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]phenyl]piperidine-3-carboxamide

1-[2-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]phenyl]piperidine-3-carboxamide (PubChem CID 75371651) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[2-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]phenyl]piperidine-3-carboxamide
PubChem CID75371651
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[2-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]phenyl]piperidine-3-carboxamide
SMILESCC(C)(C)/C=C/C(=O)NCc1ccccc1N1CCCC(C(N)=O)C1
InChIInChI=1S/C20H29N3O2/c1-20(2,3)11-10-18(24)22-13-15-7-4-5-9-17(15)23-12-6-8-16(14-23)19(21)25/h4-5,7,9-11,16H,6,8,12-14H2,1-3H3,(H2,21,25)(H,22,24)/b11-10+
InChIKeyBLBUSWWPGAGKMX-ZHACJKMWSA-N
XLogP2.61
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]phenyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(prop-2-enoylamino)methyl]phenyl]piperidine-3-carboxamide
CID 146106982
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-[2-[[(5-methyl-2-pyridinyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
CID 86779320
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-(2,6-diethylphenyl)piperidine-3-carboxamide
CID 117008267
2-methyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide
CID 61220361
1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 47069872
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-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]phenyl]piperidine-3-carboxamide (CID 75371651) is 1-[2-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]phenyl]piperidine-3-carboxamide is CC(C)(C)/C=C/C(=O)NCc1ccccc1N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[2-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]phenyl]piperidine-3-carboxamide?
The InChIKey is BLBUSWWPGAGKMX-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-20(2,3)11-10-18(24)22-13-15-7-4-5-9-17(15)23-12-6-8-16(14-23)19(21)25/h4-5,7,9-11,16H,6,8,12-14H2,1-3H3,(H2,21,25)(H,22,24)/b11-10+.
What are the key properties of 1-[2-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]phenyl]piperidine-3-carboxamide?
1-[2-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]phenyl]piperidine-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 75371651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).