N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C28H31N7O3 — CID 56675305

IUPACN-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCC(c1ccccn1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C28H31N7O3/c36-28(30-19-25(23-7-3-4-12-29-23)34-15-17-37-18-16-34)35-13-10-21(11-14-35)27-32-26(33-38-27)24-9-8-20-5-1-2-6-22(20)31-24/h1-9,12,21,25H,10-11,13-19H2,(H,30,36)
InChIKeyRLSOOBWWRNNSNI-UHFFFAOYSA-N
MW513.60 g/mol
LogP3.64
Rot. Bonds6

About N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 56675305) has the molecular formula C28H31N7O3 and a molecular weight of 513.60 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID56675305
Molecular FormulaC28H31N7O3
Molecular Weight513.60 g/mol
Exact Mass513.25
IUPAC NameN-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCC(c1ccccn1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C28H31N7O3/c36-28(30-19-25(23-7-3-4-12-29-23)34-15-17-37-18-16-34)35-13-10-21(11-14-35)27-32-26(33-38-27)24-9-8-20-5-1-2-6-22(20)31-24/h1-9,12,21,25H,10-11,13-19H2,(H,30,36)
InChIKeyRLSOOBWWRNNSNI-UHFFFAOYSA-N
XLogP3.64
TPSA109.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.60
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 56661561
4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)piperidine-1-carboxamide
CID 56664981
2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 44628150
4-hydroxy-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 77094687
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide
CID 77091232
N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 99960169
N-[2-(1,3-oxazol-5-yl)phenyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 44628527
2-(methylamino)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone;hydrochloride
CID 120704250
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
CID 131898064
3-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119870857
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70776358
5-hydroxy-N-[(2R)-2-morpholin-4-yl-2-pyridin-2-ylethyl]pyridine-2-carboxamide
CID 99941083

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 56675305) is N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is O=C(NCC(c1ccccn1)N1CCOCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is RLSOOBWWRNNSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O3/c36-28(30-19-25(23-7-3-4-12-29-23)34-15-17-37-18-16-34)35-13-10-21(11-14-35)27-32-26(33-38-27)24-9-8-20-5-1-2-6-22(20)31-24/h1-9,12,21,25H,10-11,13-19H2,(H,30,36).
What are the key properties of N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 513.60 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 56675305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).