piperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone

C24H30N2O — CID 97438053

IUPACpiperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone
SMILESC[C@H](c1cccc(-c2ccc(C(=O)N3CCCCC3)cc2)c1)N1CCCC1
InChIInChI=1S/C24H30N2O/c1-19(25-14-5-6-15-25)22-8-7-9-23(18-22)20-10-12-21(13-11-20)24(27)26-16-3-2-4-17-26/h7-13,18-19H,2-6,14-17H2,1H3/t19-/m1/s1
InChIKeyQLVVCXHRIUNMJS-LJQANCHMSA-N
MW362.52 g/mol
LogP5.14
Rot. Bonds4

About piperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone

piperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone (PubChem CID 97438053) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is piperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone
PubChem CID97438053
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Namepiperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone
SMILESC[C@H](c1cccc(-c2ccc(C(=O)N3CCCCC3)cc2)c1)N1CCCC1
InChIInChI=1S/C24H30N2O/c1-19(25-14-5-6-15-25)22-8-7-9-23(18-22)20-10-12-21(13-11-20)24(27)26-16-3-2-4-17-26/h7-13,18-19H,2-6,14-17H2,1H3/t19-/m1/s1
InChIKeyQLVVCXHRIUNMJS-LJQANCHMSA-N
XLogP5.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[3-(1-methoxyethyl)phenyl]phenyl]-piperidin-1-ylmethanone
CID 119065535
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
(4-methylsulfonylpiperazin-1-yl)-[4-(3-propan-2-ylphenyl)phenyl]methanone
CID 169277909
2-(methylamino)-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]benzoic acid
CID 95213267
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
formic acid;5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1H-pyridin-2-one
CID 154907704
azepan-1-yl-[3-(3,4-dimethylphenyl)phenyl]methanone
CID 126484493
azepan-1-yl-[4-(3-piperazin-1-ylphenyl)phenyl]methanone;hydrochloride
CID 154909425
[4-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 126434214
methyl 4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrrole-2-carboxylate
CID 95220274
1-[1-(3-nitrophenyl)ethyl]azocane
CID 55409923
3-(1-pyrrolidin-1-ylethyl)phenol
CID 13017918

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone?
The IUPAC name of piperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone (CID 97438053) is piperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone?
The canonical SMILES for piperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone is C[C@H](c1cccc(-c2ccc(C(=O)N3CCCCC3)cc2)c1)N1CCCC1.
What is the InChIKey of piperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone?
The InChIKey is QLVVCXHRIUNMJS-LJQANCHMSA-N. The full InChI is InChI=1S/C24H30N2O/c1-19(25-14-5-6-15-25)22-8-7-9-23(18-22)20-10-12-21(13-11-20)24(27)26-16-3-2-4-17-26/h7-13,18-19H,2-6,14-17H2,1H3/t19-/m1/s1.
What are the key properties of piperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone?
piperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone has a molecular weight of 362.52 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone is sourced from PubChem (CID 97438053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).