(3S)-1-[3-(2-morpholin-4-ylethoxy)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide

C24H30N4O4 — CID 125023013

IUPAC(3S)-1-[3-(2-morpholin-4-ylethoxy)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2cccc(OCCN3CCOCC3)c2)C1
InChIInChI=1S/C24H30N4O4/c25-23(30)24(21-7-1-2-9-26-21)8-4-10-28(18-24)22(29)19-5-3-6-20(17-19)32-16-13-27-11-14-31-15-12-27/h1-3,5-7,9,17H,4,8,10-16,18H2,(H2,25,30)/t24-/m0/s1
InChIKeyYUXVREZGPBREGL-DEOSSOPVSA-N
MW438.53 g/mol
LogP1.45
Rot. Bonds7

About (3S)-1-[3-(2-morpholin-4-ylethoxy)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide

(3S)-1-[3-(2-morpholin-4-ylethoxy)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 125023013) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is (3S)-1-[3-(2-morpholin-4-ylethoxy)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-(2-morpholin-4-ylethoxy)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID125023013
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name(3S)-1-[3-(2-morpholin-4-ylethoxy)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2cccc(OCCN3CCOCC3)c2)C1
InChIInChI=1S/C24H30N4O4/c25-23(30)24(21-7-1-2-9-26-21)8-4-10-28(18-24)22(29)19-5-3-6-20(17-19)32-16-13-27-11-14-31-15-12-27/h1-3,5-7,9,17H,4,8,10-16,18H2,(H2,25,30)/t24-/m0/s1
InChIKeyYUXVREZGPBREGL-DEOSSOPVSA-N
XLogP1.45
TPSA97.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[3-(2-morpholin-4-ylethoxy)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125023014
(3R)-N-methyl-1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125003814
[(3S)-3-methyl-3-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-1-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone
CID 124941595
3-[2-(1,4-oxazepan-4-yl)ethoxy]benzenecarbothioamide
CID 62988863
[4-(isoquinolin-6-ylmethyl)azepan-1-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone
CID 132773480
(3R)-1-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124972936
1-[(2S)-4-[3-(2-morpholin-4-ylethoxy)benzoyl]-2-phenylpiperazin-1-yl]ethanone
CID 129454849
1-(4-chloro-3-morpholin-4-ylbenzoyl)-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 175659313
4-benzyl-1-[3-(2-morpholin-4-ylethoxy)benzoyl]piperazine-2-carboxamide
CID 110151192
3-[3-(1,4-oxazepan-4-yl)propoxy]benzoic acid
CID 63075111
3-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
CID 131655214
(3R)-1-[1-(2-fluorophenyl)cyclopentanecarbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125023854

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(2-morpholin-4-ylethoxy)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-(2-morpholin-4-ylethoxy)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide (CID 125023013) is (3S)-1-[3-(2-morpholin-4-ylethoxy)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-(2-morpholin-4-ylethoxy)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-(2-morpholin-4-ylethoxy)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide is NC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2cccc(OCCN3CCOCC3)c2)C1.
What is the InChIKey of (3S)-1-[3-(2-morpholin-4-ylethoxy)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is YUXVREZGPBREGL-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H30N4O4/c25-23(30)24(21-7-1-2-9-26-21)8-4-10-28(18-24)22(29)19-5-3-6-20(17-19)32-16-13-27-11-14-31-15-12-27/h1-3,5-7,9,17H,4,8,10-16,18H2,(H2,25,30)/t24-/m0/s1.
What are the key properties of (3S)-1-[3-(2-morpholin-4-ylethoxy)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
(3S)-1-[3-(2-morpholin-4-ylethoxy)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(2-morpholin-4-ylethoxy)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 125023013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).