N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride

C15H22ClN3O2 — CID 119324861

IUPACN-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(CCNC(=O)C1CCCCN1)Nc1ccccc1
InChIInChI=1S/C15H21N3O2.ClH/c19-14(18-12-6-2-1-3-7-12)9-11-17-15(20)13-8-4-5-10-16-13;/h1-3,6-7,13,16H,4-5,8-11H2,(H,17,20)(H,18,19);1H
InChIKeyQKIWTVMPVLIACJ-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.70
Rot. Bonds5

About N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride

N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119324861) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119324861
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(CCNC(=O)C1CCCCN1)Nc1ccccc1
InChIInChI=1S/C15H21N3O2.ClH/c19-14(18-12-6-2-1-3-7-12)9-11-17-15(20)13-8-4-5-10-16-13;/h1-3,6-7,13,16H,4-5,8-11H2,(H,17,20)(H,18,19);1H
InChIKeyQKIWTVMPVLIACJ-UHFFFAOYSA-N
XLogP1.70
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-2-carboxamide
CID 119297979
N-[3-(benzylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
CID 119310942
N-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119873236
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
N-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-2-carboxamide
CID 119873237
(2R)-N-(3-anilinopropyl)piperidine-2-carboxamide
CID 119867761
3-(piperidine-2-carbonylamino)propanoic acid
CID 61157644
benzyl 3-[3-(pyrrolidine-2-carbonylamino)propanoylamino]propanoate
CID 129137633
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[2-(4-chloroanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119302426
N-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide
CID 110014616
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
CID 119840316

Frequently Asked Questions

What is the IUPAC name of N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride (CID 119324861) is N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride is Cl.O=C(CCNC(=O)C1CCCCN1)Nc1ccccc1.
What is the InChIKey of N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is QKIWTVMPVLIACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c19-14(18-12-6-2-1-3-7-12)9-11-17-15(20)13-8-4-5-10-16-13;/h1-3,6-7,13,16H,4-5,8-11H2,(H,17,20)(H,18,19);1H.
What are the key properties of N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride?
N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119324861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).