4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride

C17H28Cl2N4O2 — CID 119840358

IUPAC4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
SMILESCl.Cl.NCCCC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C17H26N4O2.2ClH/c18-10-4-7-16(22)19-15-8-11-21(12-9-15)13-17(23)20-14-5-2-1-3-6-14;;/h1-3,5-6,15H,4,7-13,18H2,(H,19,22)(H,20,23);2*1H
InChIKeyFXPKGUYHHPHFOU-UHFFFAOYSA-N
MW391.34 g/mol
LogP1.79
Rot. Bonds7

About 4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride

4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride (PubChem CID 119840358) has the molecular formula C17H28Cl2N4O2 and a molecular weight of 391.34 g/mol. Its IUPAC name is 4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
PubChem CID119840358
Molecular FormulaC17H28Cl2N4O2
Molecular Weight391.34 g/mol
Exact Mass390.16
IUPAC Name4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
SMILESCl.Cl.NCCCC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C17H26N4O2.2ClH/c18-10-4-7-16(22)19-15-8-11-21(12-9-15)13-17(23)20-14-5-2-1-3-6-14;;/h1-3,5-6,15H,4,7-13,18H2,(H,19,22)(H,20,23);2*1H
InChIKeyFXPKGUYHHPHFOU-UHFFFAOYSA-N
XLogP1.79
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
CID 120564436
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide
CID 119700221
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide
CID 16589823
(2R)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(carbamoylamino)-3-methylbutanamide
CID 29326396
4-amino-N-(1-phenylpiperidin-4-yl)butanamide
CID 119863037
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-bromophenoxy)butanamide
CID 32827783
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide
CID 16613440
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149186

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride (CID 119840358) is 4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride is Cl.Cl.NCCCC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride?
The InChIKey is FXPKGUYHHPHFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.2ClH/c18-10-4-7-16(22)19-15-8-11-21(12-9-15)13-17(23)20-14-5-2-1-3-6-14;;/h1-3,5-6,15H,4,7-13,18H2,(H,19,22)(H,20,23);2*1H.
What are the key properties of 4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride?
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride has a molecular weight of 391.34 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride is sourced from PubChem (CID 119840358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).