(4-cyclohexylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone

C28H41N3O2 — CID 73334162

IUPAC(4-cyclohexylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone
SMILESO=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)cc1)N1CCC(C2CCCCC2)CC1
InChIInChI=1S/C28H41N3O2/c32-27(30-18-12-23(13-19-30)22-6-2-1-3-7-22)24-8-10-25(11-9-24)28(33)31-20-14-26(15-21-31)29-16-4-5-17-29/h8-11,22-23,26H,1-7,12-21H2
InChIKeyZVUXBUCOYMGOPB-UHFFFAOYSA-N
MW451.66 g/mol
LogP4.82
Rot. Bonds4

About (4-cyclohexylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone

(4-cyclohexylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone (PubChem CID 73334162) has the molecular formula C28H41N3O2 and a molecular weight of 451.66 g/mol. Its IUPAC name is (4-cyclohexylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone
PubChem CID73334162
Molecular FormulaC28H41N3O2
Molecular Weight451.66 g/mol
Exact Mass451.32
IUPAC Name(4-cyclohexylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone
SMILESO=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)cc1)N1CCC(C2CCCCC2)CC1
InChIInChI=1S/C28H41N3O2/c32-27(30-18-12-23(13-19-30)22-6-2-1-3-7-22)24-8-10-25(11-9-24)28(33)31-20-14-26(15-21-31)29-16-4-5-17-29/h8-11,22-23,26H,1-7,12-21H2
InChIKeyZVUXBUCOYMGOPB-UHFFFAOYSA-N
XLogP4.82
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.66
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide hydrochloride
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CID 14553604
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CID 9820950
N,N-diethyl-4-[phenyl-[(1R,5S)-8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide
CID 10093250
N,N-Diethyl-4-[(8-phenethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-phenyl-methyl]-benzamide
CID 10205965
N-ethyl-4-((8-phenethyl-8-azabicyclo(3.2.1)oct-3-ylidene)phenylmethyl)benzamide
CID 10225885
(1-Isopropylpiperidin-4-yl)(4-(piperidin-1-ylmethyl)phenyl)methanone
CID 10359235
(4-Propan-2-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 10452850
N,N-Diethyl-4-{(seqTrans)-phenyl[(1R,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl}benzamide
CID 11271551
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5,6-dihydro-4H-benzo[de]isoquinolin-1-one
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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone?
The IUPAC name of (4-cyclohexylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone (CID 73334162) is (4-cyclohexylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone.
What is the SMILES notation for (4-cyclohexylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone?
The canonical SMILES for (4-cyclohexylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone is O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)cc1)N1CCC(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone?
The InChIKey is ZVUXBUCOYMGOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O2/c32-27(30-18-12-23(13-19-30)22-6-2-1-3-7-22)24-8-10-25(11-9-24)28(33)31-20-14-26(15-21-31)29-16-4-5-17-29/h8-11,22-23,26H,1-7,12-21H2.
What are the key properties of (4-cyclohexylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone?
(4-cyclohexylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone has a molecular weight of 451.66 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperidin-1-yl)-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methanone is sourced from PubChem (CID 73334162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).