[(3R)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C20H27ClN2O — CID 51505536

IUPAC[(3R)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1CCCN(CC2(c3ccc(Cl)cc3)CC2)C1)N1CCCC1
InChIInChI=1S/C20H27ClN2O/c21-18-7-5-17(6-8-18)20(9-10-20)15-22-11-3-4-16(14-22)19(24)23-12-1-2-13-23/h5-8,16H,1-4,9-15H2/t16-/m1/s1
InChIKeyZIWJOVKUKYCIFZ-MRXNPFEDSA-N
MW346.90 g/mol
LogP3.71
Rot. Bonds4

About [(3R)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3R)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 51505536) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is [(3R)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID51505536
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name[(3R)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1CCCN(CC2(c3ccc(Cl)cc3)CC2)C1)N1CCCC1
InChIInChI=1S/C20H27ClN2O/c21-18-7-5-17(6-8-18)20(9-10-20)15-22-11-3-4-16(14-22)19(24)23-12-1-2-13-23/h5-8,16H,1-4,9-15H2/t16-/m1/s1
InChIKeyZIWJOVKUKYCIFZ-MRXNPFEDSA-N
XLogP3.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 163326469
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 122571565
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920520
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 43924118
[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163357971
tris(1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-(phenoxymethyl)piperidine);[1-(4-chlorophenyl)cyclobutyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 161196249
azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 756318
1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 146087913
[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2930824
[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55501337

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 51505536) is [(3R)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is O=C([C@@H]1CCCN(CC2(c3ccc(Cl)cc3)CC2)C1)N1CCCC1.
What is the InChIKey of [(3R)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZIWJOVKUKYCIFZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27ClN2O/c21-18-7-5-17(6-8-18)20(9-10-20)15-22-11-3-4-16(14-22)19(24)23-12-1-2-13-23/h5-8,16H,1-4,9-15H2/t16-/m1/s1.
What are the key properties of [(3R)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3R)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 346.90 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 51505536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).