4-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-phenylpiperidine-1-carboxamide

C22H31N3O2 — CID 51909631

IUPAC4-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)C1(C)C
InChIInChI=1S/C22H31N3O2/c1-15(2)14-18-19(22(18,3)4)20(26)23-17-10-12-25(13-11-17)21(27)24-16-8-6-5-7-9-16/h5-9,14,17-19H,10-13H2,1-4H3,(H,23,26)(H,24,27)/t18-,19+/m1/s1
InChIKeyDJKNZUKRLHCUGI-MOPGFXCFSA-N
MW369.51 g/mol
LogP4.04
Rot. Bonds4

About 4-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-phenylpiperidine-1-carboxamide

4-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 51909631) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 4-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-phenylpiperidine-1-carboxamide
PubChem CID51909631
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name4-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)C1(C)C
InChIInChI=1S/C22H31N3O2/c1-15(2)14-18-19(22(18,3)4)20(26)23-17-10-12-25(13-11-17)21(27)24-16-8-6-5-7-9-16/h5-9,14,17-19H,10-13H2,1-4H3,(H,23,26)(H,24,27)/t18-,19+/m1/s1
InChIKeyDJKNZUKRLHCUGI-MOPGFXCFSA-N
XLogP4.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 119700260
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
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4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 119276932
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CID 17476363
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CID 51324372
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CID 71982071
1-(naphthalene-1-carbonyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 134042483
N-phenyl-4-(propylamino)piperidine-1-carboxamide
CID 54923338
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938
4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide
CID 119700221
N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide
CID 25409335
N-phenyl-4-[(2-prop-2-enylsulfanylacetyl)amino]piperidine-1-carboxamide
CID 51088852

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-phenylpiperidine-1-carboxamide (CID 51909631) is 4-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-phenylpiperidine-1-carboxamide is CC(C)=C[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)C1(C)C.
What is the InChIKey of 4-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is DJKNZUKRLHCUGI-MOPGFXCFSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-15(2)14-18-19(22(18,3)4)20(26)23-17-10-12-25(13-11-17)21(27)24-16-8-6-5-7-9-16/h5-9,14,17-19H,10-13H2,1-4H3,(H,23,26)(H,24,27)/t18-,19+/m1/s1.
What are the key properties of 4-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-phenylpiperidine-1-carboxamide?
4-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 51909631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).