N-(2-aminoethyl)-1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide

C18H27ClN4O2 — CID 119916680

IUPACN-(2-aminoethyl)-1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)CN1CCCC(C(=O)NCCN)C1)c1ccccc1Cl
InChIInChI=1S/C18H27ClN4O2/c1-13(15-6-2-3-7-16(15)19)22-17(24)12-23-10-4-5-14(11-23)18(25)21-9-8-20/h2-3,6-7,13-14H,4-5,8-12,20H2,1H3,(H,21,25)(H,22,24)
InChIKeyBJUJYIPRIROCBO-UHFFFAOYSA-N
MW366.89 g/mol
LogP1.30
Rot. Bonds7

About N-(2-aminoethyl)-1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 119916680) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
PubChem CID119916680
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC NameN-(2-aminoethyl)-1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)CN1CCCC(C(=O)NCCN)C1)c1ccccc1Cl
InChIInChI=1S/C18H27ClN4O2/c1-13(15-6-2-3-7-16(15)19)22-17(24)12-23-10-4-5-14(11-23)18(25)21-9-8-20/h2-3,6-7,13-14H,4-5,8-12,20H2,1H3,(H,21,25)(H,22,24)
InChIKeyBJUJYIPRIROCBO-UHFFFAOYSA-N
XLogP1.30
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894573
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 115969183
N-(2-aminoethyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916674
ethyl (3R)-1-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate
CID 8532308
N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 119916886
2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119920519
N-(2-aminoethyl)-1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 119917202
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propylpiperidine-3-carboxamide
CID 49440645
ethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 46800821
N-(2-aminoethyl)-1-[(4-ethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917061
N-(2-aminoethyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 119971159
1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 60512121

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide (CID 119916680) is N-(2-aminoethyl)-1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide is CC(NC(=O)CN1CCCC(C(=O)NCCN)C1)c1ccccc1Cl.
What is the InChIKey of N-(2-aminoethyl)-1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is BJUJYIPRIROCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O2/c1-13(15-6-2-3-7-16(15)19)22-17(24)12-23-10-4-5-14(11-23)18(25)21-9-8-20/h2-3,6-7,13-14H,4-5,8-12,20H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-(2-aminoethyl)-1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 366.89 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 119916680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).