N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-methoxypiperidine-4-carboxamide

C18H24ClN3O3 — CID 119802811

IUPACN-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NC2CCCN(c3ccccc3Cl)C2=O)CCNCC1
InChIInChI=1S/C18H24ClN3O3/c1-25-18(8-10-20-11-9-18)17(24)21-14-6-4-12-22(16(14)23)15-7-3-2-5-13(15)19/h2-3,5,7,14,20H,4,6,8-12H2,1H3,(H,21,24)
InChIKeyVBMGKJJCOBQIKM-UHFFFAOYSA-N
MW365.86 g/mol
LogP1.72
Rot. Bonds4

About N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-methoxypiperidine-4-carboxamide

N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119802811) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-methoxypiperidine-4-carboxamide
PubChem CID119802811
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC NameN-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NC2CCCN(c3ccccc3Cl)C2=O)CCNCC1
InChIInChI=1S/C18H24ClN3O3/c1-25-18(8-10-20-11-9-18)17(24)21-14-6-4-12-22(16(14)23)15-7-3-2-5-13(15)19/h2-3,5,7,14,20H,4,6,8-12H2,1H3,(H,21,24)
InChIKeyVBMGKJJCOBQIKM-UHFFFAOYSA-N
XLogP1.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119785319
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119798480
1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide
CID 119334574
1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea
CID 71994500
N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119746677
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]morpholine-2-carboxamide;hydrochloride
CID 119802816
4-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 119674476
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide
CID 136527689
N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-1-hydroxycyclopentane-1-carboxamide
CID 164637890
(2R,4R)-N-[(3R)-1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 124701714
N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119884408
4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide
CID 119708546

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-methoxypiperidine-4-carboxamide (CID 119802811) is N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NC2CCCN(c3ccccc3Cl)C2=O)CCNCC1.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is VBMGKJJCOBQIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-25-18(8-10-20-11-9-18)17(24)21-14-6-4-12-22(16(14)23)15-7-3-2-5-13(15)19/h2-3,5,7,14,20H,4,6,8-12H2,1H3,(H,21,24).
What are the key properties of N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-methoxypiperidine-4-carboxamide?
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119802811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).