cyclopropyl-[(3S)-3-[3-[(2-methylphenyl)methyl]azetidine-1-carbonyl]piperidin-1-yl]methanone

C21H28N2O2 — CID 97041610

IUPACcyclopropyl-[(3S)-3-[3-[(2-methylphenyl)methyl]azetidine-1-carbonyl]piperidin-1-yl]methanone
SMILESCc1ccccc1CC1CN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1
InChIInChI=1S/C21H28N2O2/c1-15-5-2-3-6-18(15)11-16-12-23(13-16)21(25)19-7-4-10-22(14-19)20(24)17-8-9-17/h2-3,5-6,16-17,19H,4,7-14H2,1H3/t19-/m0/s1
InChIKeyVTSBGEQHFKAWKG-IBGZPJMESA-N
MW340.47 g/mol
LogP2.64
Rot. Bonds4

About cyclopropyl-[(3S)-3-[3-[(2-methylphenyl)methyl]azetidine-1-carbonyl]piperidin-1-yl]methanone

cyclopropyl-[(3S)-3-[3-[(2-methylphenyl)methyl]azetidine-1-carbonyl]piperidin-1-yl]methanone (PubChem CID 97041610) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is cyclopropyl-[(3S)-3-[3-[(2-methylphenyl)methyl]azetidine-1-carbonyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3S)-3-[3-[(2-methylphenyl)methyl]azetidine-1-carbonyl]piperidin-1-yl]methanone
PubChem CID97041610
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Namecyclopropyl-[(3S)-3-[3-[(2-methylphenyl)methyl]azetidine-1-carbonyl]piperidin-1-yl]methanone
SMILESCc1ccccc1CC1CN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1
InChIInChI=1S/C21H28N2O2/c1-15-5-2-3-6-18(15)11-16-12-23(13-16)21(25)19-7-4-10-22(14-19)20(24)17-8-9-17/h2-3,5-6,16-17,19H,4,7-14H2,1H3/t19-/m0/s1
InChIKeyVTSBGEQHFKAWKG-IBGZPJMESA-N
XLogP2.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclopropyl-[(3S)-3-[3-[(2-methylphenyl)methyl]azetidine-1-carbonyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

1-[(3S)-3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 97189789
1-[3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 72840326
methyl 1-[2-(2-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919146
cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 43589536
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
[(3R)-1-[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 100857908
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-(2-methylphenyl)propan-1-one
CID 110797863
4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 84528878
azepan-1-yl-[1-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]methanone
CID 4746131
tert-butyl 3-[(2-methylphenyl)methyl]azetidine-1-carboxylate
CID 156785826
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide
CID 110822175
[1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920515

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3S)-3-[3-[(2-methylphenyl)methyl]azetidine-1-carbonyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3S)-3-[3-[(2-methylphenyl)methyl]azetidine-1-carbonyl]piperidin-1-yl]methanone (CID 97041610) is cyclopropyl-[(3S)-3-[3-[(2-methylphenyl)methyl]azetidine-1-carbonyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3S)-3-[3-[(2-methylphenyl)methyl]azetidine-1-carbonyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3S)-3-[3-[(2-methylphenyl)methyl]azetidine-1-carbonyl]piperidin-1-yl]methanone is Cc1ccccc1CC1CN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1.
What is the InChIKey of cyclopropyl-[(3S)-3-[3-[(2-methylphenyl)methyl]azetidine-1-carbonyl]piperidin-1-yl]methanone?
The InChIKey is VTSBGEQHFKAWKG-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28N2O2/c1-15-5-2-3-6-18(15)11-16-12-23(13-16)21(25)19-7-4-10-22(14-19)20(24)17-8-9-17/h2-3,5-6,16-17,19H,4,7-14H2,1H3/t19-/m0/s1.
What are the key properties of cyclopropyl-[(3S)-3-[3-[(2-methylphenyl)methyl]azetidine-1-carbonyl]piperidin-1-yl]methanone?
cyclopropyl-[(3S)-3-[3-[(2-methylphenyl)methyl]azetidine-1-carbonyl]piperidin-1-yl]methanone has a molecular weight of 340.47 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3S)-3-[3-[(2-methylphenyl)methyl]azetidine-1-carbonyl]piperidin-1-yl]methanone is sourced from PubChem (CID 97041610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).