4-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide

C26H30N4O — CID 18436118

IUPAC4-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc2cc(CN3CCCC3)cnc2c1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C26H30N4O/c31-26(30-14-10-22(11-15-30)21-6-2-1-3-7-21)28-24-9-8-23-16-20(18-27-25(23)17-24)19-29-12-4-5-13-29/h1-3,6-9,16-18,22H,4-5,10-15,19H2,(H,28,31)
InChIKeyWABKHWFSDOFXOV-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.24
Rot. Bonds4

About 4-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide

4-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide (PubChem CID 18436118) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is 4-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide
PubChem CID18436118
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name4-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc2cc(CN3CCCC3)cnc2c1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C26H30N4O/c31-26(30-14-10-22(11-15-30)21-6-2-1-3-7-21)28-24-9-8-23-16-20(18-27-25(23)17-24)19-29-12-4-5-13-29/h1-3,6-9,16-18,22H,4-5,10-15,19H2,(H,28,31)
InChIKeyWABKHWFSDOFXOV-UHFFFAOYSA-N
XLogP5.24
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide?
The IUPAC name of 4-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide (CID 18436118) is 4-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide is O=C(Nc1ccc2cc(CN3CCCC3)cnc2c1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide?
The InChIKey is WABKHWFSDOFXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c31-26(30-14-10-22(11-15-30)21-6-2-1-3-7-21)28-24-9-8-23-16-20(18-27-25(23)17-24)19-29-12-4-5-13-29/h1-3,6-9,16-18,22H,4-5,10-15,19H2,(H,28,31).
What are the key properties of 4-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide?
4-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide is sourced from PubChem (CID 18436118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).