N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

C22H27ClN4O2 — CID 55687537

IUPACN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESCCN(Cc1cccc(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)c1)C(C)=O
InChIInChI=1S/C22H27ClN4O2/c1-3-26(16(2)28)15-17-5-4-6-20(13-17)25-22(29)18-9-11-27(12-10-18)21-8-7-19(23)14-24-21/h4-8,13-14,18H,3,9-12,15H2,1-2H3,(H,25,29)
InChIKeyUJCHNPOYDQKBBZ-UHFFFAOYSA-N
MW414.94 g/mol
LogP3.96
Rot. Bonds6

About N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55687537) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55687537
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESCCN(Cc1cccc(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)c1)C(C)=O
InChIInChI=1S/C22H27ClN4O2/c1-3-26(16(2)28)15-17-5-4-6-20(13-17)25-22(29)18-9-11-27(12-10-18)21-8-7-19(23)14-24-21/h4-8,13-14,18H,3,9-12,15H2,1-2H3,(H,25,29)
InChIKeyUJCHNPOYDQKBBZ-UHFFFAOYSA-N
XLogP3.96
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 34332556
N-[3-(hydroxymethyl)phenyl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 110910842
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38983045
1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71935267
N-benzyl-1-(5-chloro-2-pyridinyl)-N-propylpiperidine-4-carboxamide
CID 55689806
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 38809396
1-(5-chloro-2-pyridinyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide
CID 55958876
1-(5-chloro-2-pyridinyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpiperidine-4-carboxamide
CID 56511645
N-(2-chlorophenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38952409
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55687718
1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide
CID 126781633
N-(3-chlorophenyl)-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide
CID 46375111

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (CID 55687537) is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is CCN(Cc1cccc(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)c1)C(C)=O.
What is the InChIKey of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is UJCHNPOYDQKBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-3-26(16(2)28)15-17-5-4-6-20(13-17)25-22(29)18-9-11-27(12-10-18)21-8-7-19(23)14-24-21/h4-8,13-14,18H,3,9-12,15H2,1-2H3,(H,25,29).
What are the key properties of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 414.94 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55687537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).