N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide

C22H30N4O2S — CID 39209124

IUPACN-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
SMILESCCN(CC)[C@H](CNC(=O)C1CCN(C(=O)c2cccnc2)CC1)c1ccsc1
InChIInChI=1S/C22H30N4O2S/c1-3-25(4-2)20(19-9-13-29-16-19)15-24-21(27)17-7-11-26(12-8-17)22(28)18-6-5-10-23-14-18/h5-6,9-10,13-14,16-17,20H,3-4,7-8,11-12,15H2,1-2H3,(H,24,27)/t20-/m1/s1
InChIKeyPMHBKFASCZJSFL-HXUWFJFHSA-N
MW414.58 g/mol
LogP3.19
Rot. Bonds8

About N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide

N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 39209124) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
PubChem CID39209124
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC NameN-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
SMILESCCN(CC)[C@H](CNC(=O)C1CCN(C(=O)c2cccnc2)CC1)c1ccsc1
InChIInChI=1S/C22H30N4O2S/c1-3-25(4-2)20(19-9-13-29-16-19)15-24-21(27)17-7-11-26(12-8-17)22(28)18-6-5-10-23-14-18/h5-6,9-10,13-14,16-17,20H,3-4,7-8,11-12,15H2,1-2H3,(H,24,27)/t20-/m1/s1
InChIKeyPMHBKFASCZJSFL-HXUWFJFHSA-N
XLogP3.19
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55660182
N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113002848
(2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide
CID 94172389
5-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]pyridine-3-carboxamide
CID 39214471
1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
CID 54794112
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
N,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113005906
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 47030817
ethyl 1-[N-[2-(diethylamino)-2-thiophen-3-ylethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111157021
[1-(pyridine-3-carbonyl)piperidin-4-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51949199
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 90521312
1-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 51953978

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide (CID 39209124) is N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide is CCN(CC)[C@H](CNC(=O)C1CCN(C(=O)c2cccnc2)CC1)c1ccsc1.
What is the InChIKey of N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is PMHBKFASCZJSFL-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-3-25(4-2)20(19-9-13-29-16-19)15-24-21(27)17-7-11-26(12-8-17)22(28)18-6-5-10-23-14-18/h5-6,9-10,13-14,16-17,20H,3-4,7-8,11-12,15H2,1-2H3,(H,24,27)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 414.58 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 39209124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).