N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dichlorophenoxy)propanamide

C16H21Cl2N3O3 — CID 86822832

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dichlorophenoxy)propanamide
SMILESNC(=O)CN1CCC(NC(=O)CCOc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H21Cl2N3O3/c17-12-2-1-3-13(16(12)18)24-9-6-15(23)20-11-4-7-21(8-5-11)10-14(19)22/h1-3,11H,4-10H2,(H2,19,22)(H,20,23)
InChIKeyHGUDWKGIPROXNI-UHFFFAOYSA-N
MW374.27 g/mol
LogP1.83
Rot. Bonds7

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dichlorophenoxy)propanamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dichlorophenoxy)propanamide (PubChem CID 86822832) has the molecular formula C16H21Cl2N3O3 and a molecular weight of 374.27 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dichlorophenoxy)propanamide
PubChem CID86822832
Molecular FormulaC16H21Cl2N3O3
Molecular Weight374.27 g/mol
Exact Mass373.10
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dichlorophenoxy)propanamide
SMILESNC(=O)CN1CCC(NC(=O)CCOc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H21Cl2N3O3/c17-12-2-1-3-13(16(12)18)24-9-6-15(23)20-11-4-7-21(8-5-11)10-14(19)22/h1-3,11H,4-10H2,(H2,19,22)(H,20,23)
InChIKeyHGUDWKGIPROXNI-UHFFFAOYSA-N
XLogP1.83
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dimethylphenoxy)propanamide
CID 86985236
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 134047741
N-cyclopentyl-2-(2,3-dichlorophenoxy)acetamide
CID 2602948
3-(2,3-dichlorophenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111471477
2-[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidin-1-yl]acetamide
CID 134047526
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide
CID 24590901
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-fluorophenyl)propanamide
CID 134047878
(E)-3-[2-chloro-6-[3-(cyclopropylamino)-3-oxopropoxy]phenyl]prop-2-enoic acid
CID 114321206
(3R)-1-[3-(2,3-dichlorophenoxy)propanoyl]piperidine-3-carboxamide
CID 95293794
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide
CID 108554888
2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide
CID 43425925
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide
CID 134047770

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dichlorophenoxy)propanamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dichlorophenoxy)propanamide (CID 86822832) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dichlorophenoxy)propanamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dichlorophenoxy)propanamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dichlorophenoxy)propanamide is NC(=O)CN1CCC(NC(=O)CCOc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dichlorophenoxy)propanamide?
The InChIKey is HGUDWKGIPROXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O3/c17-12-2-1-3-13(16(12)18)24-9-6-15(23)20-11-4-7-21(8-5-11)10-14(19)22/h1-3,11H,4-10H2,(H2,19,22)(H,20,23).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dichlorophenoxy)propanamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dichlorophenoxy)propanamide has a molecular weight of 374.27 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dichlorophenoxy)propanamide is sourced from PubChem (CID 86822832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).