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

C26H38N4O2 — CID 73334593

IUPAC[4-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(C(=O)N2CCC(C3CCCN3)CC2)cc1)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C26H38N4O2/c31-25(29-15-9-19(10-16-29)23-3-1-13-27-23)21-5-7-22(8-6-21)26(32)30-17-11-20(12-18-30)24-4-2-14-28-24/h5-8,19-20,23-24,27-28H,1-4,9-18H2
InChIKeyHTEPOQOWHCXEIX-UHFFFAOYSA-N
MW438.62 g/mol
LogP2.89
Rot. Bonds4

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

[4-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 73334593) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is [4-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID73334593
Molecular FormulaC26H38N4O2
Molecular Weight438.62 g/mol
Exact Mass438.30
IUPAC Name[4-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(C(=O)N2CCC(C3CCCN3)CC2)cc1)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C26H38N4O2/c31-25(29-15-9-19(10-16-29)23-3-1-13-27-23)21-5-7-22(8-6-21)26(32)30-17-11-20(12-18-30)24-4-2-14-28-24/h5-8,19-20,23-24,27-28H,1-4,9-18H2
InChIKeyHTEPOQOWHCXEIX-UHFFFAOYSA-N
XLogP2.89
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 73334593) is [4-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(c1ccc(C(=O)N2CCC(C3CCCN3)CC2)cc1)N1CCC(C2CCCN2)CC1.
What is the InChIKey of [4-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is HTEPOQOWHCXEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2/c31-25(29-15-9-19(10-16-29)23-3-1-13-27-23)21-5-7-22(8-6-21)26(32)30-17-11-20(12-18-30)24-4-2-14-28-24/h5-8,19-20,23-24,27-28H,1-4,9-18H2.
What are the key properties of [4-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
[4-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 438.62 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 73334593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).