[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C26H38N4O2 — CID 73334067

IUPAC[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(C(=O)N2CCC(N3CCCC3)CC2)c1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C26H38N4O2/c31-25(29-16-8-23(9-17-29)27-12-1-2-13-27)21-6-5-7-22(20-21)26(32)30-18-10-24(11-19-30)28-14-3-4-15-28/h5-7,20,23-24H,1-4,8-19H2
InChIKeyUGRLOOWORYVTGW-UHFFFAOYSA-N
MW438.62 g/mol
LogP3.09
Rot. Bonds4

About [3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 73334067) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is [3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID73334067
Molecular FormulaC26H38N4O2
Molecular Weight438.62 g/mol
Exact Mass438.30
IUPAC Name[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(C(=O)N2CCC(N3CCCC3)CC2)c1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C26H38N4O2/c31-25(29-16-8-23(9-17-29)27-12-1-2-13-27)21-6-5-7-22(20-21)26(32)30-18-10-24(11-19-30)28-14-3-4-15-28/h5-7,20,23-24H,1-4,8-19H2
InChIKeyUGRLOOWORYVTGW-UHFFFAOYSA-N
XLogP3.09
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N1,N3-Bis(2,2,6,6-tetramethylpiperidin-4-YL)isophthalamide
CID 6451919
2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-6-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisoquinolin-1-one
CID 25218401
1,4-Bis(4-(pyrrolidinyl)piperidinyl)benzamide
CID 56577044
6-[4-[(2R)-2-methylpyrrolidine-1-carbonyl]phenyl]-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
CID 68731121
6-[4-[(2S)-2-methylpyrrolidine-1-carbonyl]phenyl]-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
CID 69082816
(4-Pyrrolidin-1-ylpiperidin-1-yl)-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]methanone
CID 73334158
Phenyl[3-(piperidin-1-ylcarbonyl)piperidin-1-yl]methanone
CID 3795136
Benzene, 1,4-bis(2-methylpiperidin-1-ylcarbonyl)-
CID 615598
[3-(4-Methyl-piperazin-1-ylmethyl)-phenyl]-piperidin-1-yl-methanone
CID 10828160
4-((S)-1-{3-[(S)-2-(Pyrrolidine-1-carbonyl)-pyrrolidine-1-carbonyl]-benzoyl}-pyrrolidine-2-carbonyl)-piperazine-1-carboxylic acid tert-butyl ester
CID 10897180
{3-[(S)-2-(Pyrrolidine-1-carbonyl)-pyrrolidine-1-carbonyl]-phenyl}-[(S)-2-(pyrrolidine-1-carbonyl)-pyrrolidin-1-yl]-methanone
CID 10983495
[(S)-2-(Azepane-1-carbonyl)-pyrrolidin-1-yl]-{3-[(S)-2-(pyrrolidine-1-carbonyl)-pyrrolidine-1-carbonyl]-phenyl}-methanone
CID 11060090

Frequently Asked Questions

What is the IUPAC name of [3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 73334067) is [3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is O=C(c1cccc(C(=O)N2CCC(N3CCCC3)CC2)c1)N1CCC(N2CCCC2)CC1.
What is the InChIKey of [3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is UGRLOOWORYVTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2/c31-25(29-16-8-23(9-17-29)27-12-1-2-13-27)21-6-5-7-22(20-21)26(32)30-18-10-24(11-19-30)28-14-3-4-15-28/h5-7,20,23-24H,1-4,8-19H2.
What are the key properties of [3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 438.62 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 73334067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).