1-(2-amino-2-oxoethyl)-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide

C16H21Cl2N3O3 — CID 70737044

IUPAC1-(2-amino-2-oxoethyl)-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide
SMILESNC(=O)CN1CCC(C(=O)NC(CO)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C16H21Cl2N3O3/c17-12-5-11(6-13(18)7-12)14(9-22)20-16(24)10-1-3-21(4-2-10)8-15(19)23/h5-7,10,14,22H,1-4,8-9H2,(H2,19,23)(H,20,24)
InChIKeyJESPBZBBACUUDY-UHFFFAOYSA-N
MW374.27 g/mol
LogP1.34
Rot. Bonds6

About 1-(2-amino-2-oxoethyl)-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide

1-(2-amino-2-oxoethyl)-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide (PubChem CID 70737044) has the molecular formula C16H21Cl2N3O3 and a molecular weight of 374.27 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide
PubChem CID70737044
Molecular FormulaC16H21Cl2N3O3
Molecular Weight374.27 g/mol
Exact Mass373.10
IUPAC Name1-(2-amino-2-oxoethyl)-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide
SMILESNC(=O)CN1CCC(C(=O)NC(CO)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C16H21Cl2N3O3/c17-12-5-11(6-13(18)7-12)14(9-22)20-16(24)10-1-3-21(4-2-10)8-15(19)23/h5-7,10,14,22H,1-4,8-9H2,(H2,19,23)(H,20,24)
InChIKeyJESPBZBBACUUDY-UHFFFAOYSA-N
XLogP1.34
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-2-oxoethyl)-N-[(1S)-1-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide
CID 97134473
(2S)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(3-fluorophenyl)acetic acid
CID 97280866
2-[4-[(3,5-dichlorophenyl)sulfonylamino]piperidin-1-yl]acetamide
CID 86915412
1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide
CID 97152357
1-(2-amino-2-oxoethyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16909154
1-(2-amino-2-oxoethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide
CID 70747790
1-(2-amino-2-oxoethyl)-N-phenylpiperidine-4-carboxamide
CID 9134210
(2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(2-fluorophenyl)acetic acid
CID 97282994
1-(2-amino-2-oxoethyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide
CID 70785942
1-(2-amino-2-oxoethyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 70760706
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide (CID 70737044) is 1-(2-amino-2-oxoethyl)-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide is NC(=O)CN1CCC(C(=O)NC(CO)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide?
The InChIKey is JESPBZBBACUUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O3/c17-12-5-11(6-13(18)7-12)14(9-22)20-16(24)10-1-3-21(4-2-10)8-15(19)23/h5-7,10,14,22H,1-4,8-9H2,(H2,19,23)(H,20,24).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide?
1-(2-amino-2-oxoethyl)-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide has a molecular weight of 374.27 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide is sourced from PubChem (CID 70737044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).