N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride

C19H30Cl2N4O2 — CID 119840316

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCC(NC(=O)C2CCCCN2)CC1)Nc1ccccc1
InChIInChI=1S/C19H28N4O2.2ClH/c24-18(21-15-6-2-1-3-7-15)14-23-12-9-16(10-13-23)22-19(25)17-8-4-5-11-20-17;;/h1-3,6-7,16-17,20H,4-5,8-14H2,(H,21,24)(H,22,25);2*1H
InChIKeyBUQASTYLIXSUOC-UHFFFAOYSA-N
MW417.38 g/mol
LogP2.19
Rot. Bonds5

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

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119840316) has the molecular formula C19H30Cl2N4O2 and a molecular weight of 417.38 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119840316
Molecular FormulaC19H30Cl2N4O2
Molecular Weight417.38 g/mol
Exact Mass416.17
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCC(NC(=O)C2CCCCN2)CC1)Nc1ccccc1
InChIInChI=1S/C19H28N4O2.2ClH/c24-18(21-15-6-2-1-3-7-15)14-23-12-9-16(10-13-23)22-19(25)17-8-4-5-11-20-17;;/h1-3,6-7,16-17,20H,4-5,8-14H2,(H,21,24)(H,22,25);2*1H
InChIKeyBUQASTYLIXSUOC-UHFFFAOYSA-N
XLogP2.19
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]azepane-2-carboxamide
CID 64564001
N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride
CID 119324861
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]morpholine-2-carboxamide
CID 119840351
(3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 32829511
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
CID 43424739
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358
(2R)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 103813420

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride (CID 119840316) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(CN1CCC(NC(=O)C2CCCCN2)CC1)Nc1ccccc1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is BUQASTYLIXSUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.2ClH/c24-18(21-15-6-2-1-3-7-15)14-23-12-9-16(10-13-23)22-19(25)17-8-4-5-11-20-17;;/h1-3,6-7,16-17,20H,4-5,8-14H2,(H,21,24)(H,22,25);2*1H.
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 417.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119840316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).