[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

C26H38N4O2 — CID 73334264

IUPAC[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)cc1)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C26H38N4O2/c31-25(29-16-9-20(10-17-29)24-4-3-13-27-24)21-5-7-22(8-6-21)26(32)30-18-11-23(12-19-30)28-14-1-2-15-28/h5-8,20,23-24,27H,1-4,9-19H2
InChIKeyMRJXKLSRXVQNLQ-UHFFFAOYSA-N
MW438.62 g/mol
LogP2.99
Rot. Bonds4

About [4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 73334264) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is [4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID73334264
Molecular FormulaC26H38N4O2
Molecular Weight438.62 g/mol
Exact Mass438.30
IUPAC Name[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)cc1)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C26H38N4O2/c31-25(29-16-9-20(10-17-29)24-4-3-13-27-24)21-5-7-22(8-6-21)26(32)30-18-11-23(12-19-30)28-14-1-2-15-28/h5-8,20,23-24,27H,1-4,9-19H2
InChIKeyMRJXKLSRXVQNLQ-UHFFFAOYSA-N
XLogP2.99
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 40598
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N-4-Piperidylbenzamide
CID 118120
N-(2-(1-benzylpiperidin-4-yl)ethyl)benzamide
CID 14783860
4-[(R)-(S)-8-Aza-bicyclo[3.2.1]oct-(3Z)-ylidene-phenyl-methyl]-N,N-diethyl-benzamide
CID 9820950
N-ethyl-4-((8-phenethyl-8-azabicyclo(3.2.1)oct-3-ylidene)phenylmethyl)benzamide
CID 10225885
4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 877392
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methylbenzamide
CID 14783864
N-(1-Acetylpiperidin-4-yl)benzamide
CID 20754800
N-ethyl-4-[phenyl-[(1S,5R)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide
CID 9889993
N-cycloheptyl-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 804288
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 2977354

Frequently Asked Questions

What is the IUPAC name of [4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 73334264) is [4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)cc1)N1CCC(C2CCCN2)CC1.
What is the InChIKey of [4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is MRJXKLSRXVQNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2/c31-25(29-16-9-20(10-17-29)24-4-3-13-27-24)21-5-7-22(8-6-21)26(32)30-18-11-23(12-19-30)28-14-1-2-15-28/h5-8,20,23-24,27H,1-4,9-19H2.
What are the key properties of [4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 438.62 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 73334264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).