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

C27H32N4O2 — CID 18435986

IUPAC4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide
SMILESCOc1ccc(C2CCN(C(=O)Nc3ccc4cc(CN5CCCC5)cnc4c3)CC2)cc1
InChIInChI=1S/C27H32N4O2/c1-33-25-8-5-21(6-9-25)22-10-14-31(15-11-22)27(32)29-24-7-4-23-16-20(18-28-26(23)17-24)19-30-12-2-3-13-30/h4-9,16-18,22H,2-3,10-15,19H2,1H3,(H,29,32)
InChIKeyOHSXHWRMAMCPHA-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.25
Rot. Bonds5

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

4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide (PubChem CID 18435986) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide
PubChem CID18435986
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide
SMILESCOc1ccc(C2CCN(C(=O)Nc3ccc4cc(CN5CCCC5)cnc4c3)CC2)cc1
InChIInChI=1S/C27H32N4O2/c1-33-25-8-5-21(6-9-25)22-10-14-31(15-11-22)27(32)29-24-7-4-23-16-20(18-28-26(23)17-24)19-30-12-2-3-13-30/h4-9,16-18,22H,2-3,10-15,19H2,1H3,(H,29,32)
InChIKeyOHSXHWRMAMCPHA-UHFFFAOYSA-N
XLogP5.25
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide (CID 18435986) is 4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide is COc1ccc(C2CCN(C(=O)Nc3ccc4cc(CN5CCCC5)cnc4c3)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide?
The InChIKey is OHSXHWRMAMCPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-33-25-8-5-21(6-9-25)22-10-14-31(15-11-22)27(32)29-24-7-4-23-16-20(18-28-26(23)17-24)19-30-12-2-3-13-30/h4-9,16-18,22H,2-3,10-15,19H2,1H3,(H,29,32).
What are the key properties of 4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide?
4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]piperidine-1-carboxamide is sourced from PubChem (CID 18435986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).