cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone

C22H30N2O2 — CID 97138893

IUPACcyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
SMILESCc1cccc([C@H]2CCCN(C(=O)C3CCN(C(=O)C4CC4)CC3)C2)c1
InChIInChI=1S/C22H30N2O2/c1-16-4-2-5-19(14-16)20-6-3-11-24(15-20)22(26)18-9-12-23(13-10-18)21(25)17-7-8-17/h2,4-5,14,17-18,20H,3,6-13,15H2,1H3/t20-/m0/s1
InChIKeyGIVXBTLVVMOSMC-FQEVSTJZSA-N
MW354.49 g/mol
LogP3.35
Rot. Bonds3

About cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone

cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone (PubChem CID 97138893) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
PubChem CID97138893
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Namecyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
SMILESCc1cccc([C@H]2CCCN(C(=O)C3CCN(C(=O)C4CC4)CC3)C2)c1
InChIInChI=1S/C22H30N2O2/c1-16-4-2-5-19(14-16)20-6-3-11-24(15-20)22(26)18-9-12-23(13-10-18)21(25)17-7-8-17/h2,4-5,14,17-18,20H,3,6-13,15H2,1H3/t20-/m0/s1
InChIKeyGIVXBTLVVMOSMC-FQEVSTJZSA-N
XLogP3.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 176578246
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid
CID 50742353
cyclopentyl-[3-(3-methylphenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]methanone
CID 42865360
4-[3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 136553556
[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 70706897
[2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea
CID 99971911
ethyl (3R)-1-[(3R,5R)-1-acetyl-5-(3-methylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 92995295
2-methyl-6-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]pyran-4-one
CID 99994685
3-(3-methylphenyl)pyrrolidine-1-carbothioamide
CID 134367760
N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide
CID 176575682
1-[4-[(3R)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 95816466
1-[4-[3-(3-chlorophenyl)azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 146150629

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone (CID 97138893) is cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone is Cc1cccc([C@H]2CCCN(C(=O)C3CCN(C(=O)C4CC4)CC3)C2)c1.
What is the InChIKey of cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone?
The InChIKey is GIVXBTLVVMOSMC-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-16-4-2-5-19(14-16)20-6-3-11-24(15-20)22(26)18-9-12-23(13-10-18)21(25)17-7-8-17/h2,4-5,14,17-18,20H,3,6-13,15H2,1H3/t20-/m0/s1.
What are the key properties of cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone?
cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone has a molecular weight of 354.49 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone is sourced from PubChem (CID 97138893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).