(3,3-diphenylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone

C22H22N2O — CID 72916779

IUPAC(3,3-diphenylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)N1CCCC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C22H22N2O/c25-21(18-12-14-23-16-18)24-15-7-13-22(17-24,19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-12,14,16,23H,7,13,15,17H2
InChIKeyRFPCEIMKCPXMQO-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.24
Rot. Bonds3

About (3,3-diphenylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone

(3,3-diphenylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone (PubChem CID 72916779) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is (3,3-diphenylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name(3,3-diphenylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone
PubChem CID72916779
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name(3,3-diphenylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)N1CCCC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C22H22N2O/c25-21(18-12-14-23-16-18)24-15-7-13-22(17-24,19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-12,14,16,23H,7,13,15,17H2
InChIKeyRFPCEIMKCPXMQO-UHFFFAOYSA-N
XLogP4.24
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 72928446
azepan-1-yl(1H-pyrrol-3-yl)methanone
CID 110691126
(3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 72872127
N-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131691420
(2R)-1-(3,3-diphenylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 97270691
(2S)-2-amino-1-(3,3-diphenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 154900068
(3,3-diphenylpiperidin-1-yl)-(oxan-2-yl)methanone
CID 118773107
(3,3-diphenylpiperidin-1-yl)-[(2S)-oxan-2-yl]methanone
CID 125170830
[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110816028
(3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 154900279
(3,3-diphenylpiperidin-1-yl)-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 72918423
(1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-(1H-pyrrol-3-yl)methanone
CID 131687718

Frequently Asked Questions

What is the IUPAC name of (3,3-diphenylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone?
The IUPAC name of (3,3-diphenylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone (CID 72916779) is (3,3-diphenylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for (3,3-diphenylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for (3,3-diphenylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone is O=C(c1cc[nH]c1)N1CCCC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of (3,3-diphenylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone?
The InChIKey is RFPCEIMKCPXMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c25-21(18-12-14-23-16-18)24-15-7-13-22(17-24,19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-12,14,16,23H,7,13,15,17H2.
What are the key properties of (3,3-diphenylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone?
(3,3-diphenylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone has a molecular weight of 330.43 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diphenylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 72916779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).