N-[(1R,2R,4R)-4-(phenoxymethyl)-2-(piperidine-1-carbonyl)cyclopentyl]cyclopropanecarboxamide

C22H30N2O3 — CID 146067402

IUPACN-[(1R,2R,4R)-4-(phenoxymethyl)-2-(piperidine-1-carbonyl)cyclopentyl]cyclopropanecarboxamide
SMILESO=C(N[C@@H]1C[C@H](COc2ccccc2)C[C@H]1C(=O)N1CCCCC1)C1CC1
InChIInChI=1S/C22H30N2O3/c25-21(17-9-10-17)23-20-14-16(15-27-18-7-3-1-4-8-18)13-19(20)22(26)24-11-5-2-6-12-24/h1,3-4,7-8,16-17,19-20H,2,5-6,9-15H2,(H,23,25)/t16-,19-,20-/m1/s1
InChIKeyLJAMKKXMYXTGAR-NSISKUIASA-N
MW370.49 g/mol
LogP3.00
Rot. Bonds6

About N-[(1R,2R,4R)-4-(phenoxymethyl)-2-(piperidine-1-carbonyl)cyclopentyl]cyclopropanecarboxamide

N-[(1R,2R,4R)-4-(phenoxymethyl)-2-(piperidine-1-carbonyl)cyclopentyl]cyclopropanecarboxamide (PubChem CID 146067402) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[(1R,2R,4R)-4-(phenoxymethyl)-2-(piperidine-1-carbonyl)cyclopentyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1R,2R,4R)-4-(phenoxymethyl)-2-(piperidine-1-carbonyl)cyclopentyl]cyclopropanecarboxamide
PubChem CID146067402
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-[(1R,2R,4R)-4-(phenoxymethyl)-2-(piperidine-1-carbonyl)cyclopentyl]cyclopropanecarboxamide
SMILESO=C(N[C@@H]1C[C@H](COc2ccccc2)C[C@H]1C(=O)N1CCCCC1)C1CC1
InChIInChI=1S/C22H30N2O3/c25-21(17-9-10-17)23-20-14-16(15-27-18-7-3-1-4-8-18)13-19(20)22(26)24-11-5-2-6-12-24/h1,3-4,7-8,16-17,19-20H,2,5-6,9-15H2,(H,23,25)/t16-,19-,20-/m1/s1
InChIKeyLJAMKKXMYXTGAR-NSISKUIASA-N
XLogP3.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R,4R)-2-[(2-methoxyacetyl)amino]-4-(phenoxymethyl)-N-propan-2-ylcyclopentane-1-carboxamide
CID 146067377
cis-(1R,3S)-3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677745
4-[[3-(phenoxymethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023727
cis-(1S,3R)-3-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674902
tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate
CID 68644853
[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 110882103
2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 100667514
N'-(2-phenoxyacetyl)cyclohexanecarbohydrazide
CID 695727
2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
CID 109140677
cyclohexylmethoxybenzene
CID 14399287
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
N-(2-phenoxyphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132342

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4R)-4-(phenoxymethyl)-2-(piperidine-1-carbonyl)cyclopentyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1R,2R,4R)-4-(phenoxymethyl)-2-(piperidine-1-carbonyl)cyclopentyl]cyclopropanecarboxamide (CID 146067402) is N-[(1R,2R,4R)-4-(phenoxymethyl)-2-(piperidine-1-carbonyl)cyclopentyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1R,2R,4R)-4-(phenoxymethyl)-2-(piperidine-1-carbonyl)cyclopentyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1R,2R,4R)-4-(phenoxymethyl)-2-(piperidine-1-carbonyl)cyclopentyl]cyclopropanecarboxamide is O=C(N[C@@H]1C[C@H](COc2ccccc2)C[C@H]1C(=O)N1CCCCC1)C1CC1.
What is the InChIKey of N-[(1R,2R,4R)-4-(phenoxymethyl)-2-(piperidine-1-carbonyl)cyclopentyl]cyclopropanecarboxamide?
The InChIKey is LJAMKKXMYXTGAR-NSISKUIASA-N. The full InChI is InChI=1S/C22H30N2O3/c25-21(17-9-10-17)23-20-14-16(15-27-18-7-3-1-4-8-18)13-19(20)22(26)24-11-5-2-6-12-24/h1,3-4,7-8,16-17,19-20H,2,5-6,9-15H2,(H,23,25)/t16-,19-,20-/m1/s1.
What are the key properties of N-[(1R,2R,4R)-4-(phenoxymethyl)-2-(piperidine-1-carbonyl)cyclopentyl]cyclopropanecarboxamide?
N-[(1R,2R,4R)-4-(phenoxymethyl)-2-(piperidine-1-carbonyl)cyclopentyl]cyclopropanecarboxamide has a molecular weight of 370.49 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4R)-4-(phenoxymethyl)-2-(piperidine-1-carbonyl)cyclopentyl]cyclopropanecarboxamide is sourced from PubChem (CID 146067402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).