3-N-[(2R)-2-(ethylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride

C18H29ClN4O2 — CID 120650058

IUPAC3-N-[(2R)-2-(ethylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C1CCCN(C(=O)Nc2ccccc2)C1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-3-19-14(2)12-20-17(23)15-8-7-11-22(13-15)18(24)21-16-9-5-4-6-10-16;/h4-6,9-10,14-15,19H,3,7-8,11-13H2,1-2H3,(H,20,23)(H,21,24);1H/t14-,15?;/m1./s1
InChIKeyZMFBUQJRIGBBHY-FUISWZMFSA-N
MW368.91 g/mol
LogP2.47
Rot. Bonds6

About 3-N-[(2R)-2-(ethylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride

3-N-[(2R)-2-(ethylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride (PubChem CID 120650058) has the molecular formula C18H29ClN4O2 and a molecular weight of 368.91 g/mol. Its IUPAC name is 3-N-[(2R)-2-(ethylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N-[(2R)-2-(ethylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
PubChem CID120650058
Molecular FormulaC18H29ClN4O2
Molecular Weight368.91 g/mol
Exact Mass368.20
IUPAC Name3-N-[(2R)-2-(ethylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C1CCCN(C(=O)Nc2ccccc2)C1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-3-19-14(2)12-20-17(23)15-8-7-11-22(13-15)18(24)21-16-9-5-4-6-10-16;/h4-6,9-10,14-15,19H,3,7-8,11-13H2,1-2H3,(H,20,23)(H,21,24);1H/t14-,15?;/m1./s1
InChIKeyZMFBUQJRIGBBHY-FUISWZMFSA-N
XLogP2.47
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24659153
1-(cyclopropanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-carboxamide;hydrochloride
CID 120654768
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120650995
N-[(2R)-2-(ethylamino)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 120651023
2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119223360
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364
1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide
CID 24503682
3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119431536
(3R)-3-N-butyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900294
2-methyl-2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119191915
(3S)-3-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51924944

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2R)-2-(ethylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 3-N-[(2R)-2-(ethylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride (CID 120650058) is 3-N-[(2R)-2-(ethylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N-[(2R)-2-(ethylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N-[(2R)-2-(ethylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride is CCN[C@H](C)CNC(=O)C1CCCN(C(=O)Nc2ccccc2)C1.Cl.
What is the InChIKey of 3-N-[(2R)-2-(ethylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride?
The InChIKey is ZMFBUQJRIGBBHY-FUISWZMFSA-N. The full InChI is InChI=1S/C18H28N4O2.ClH/c1-3-19-14(2)12-20-17(23)15-8-7-11-22(13-15)18(24)21-16-9-5-4-6-10-16;/h4-6,9-10,14-15,19H,3,7-8,11-13H2,1-2H3,(H,20,23)(H,21,24);1H/t14-,15?;/m1./s1.
What are the key properties of 3-N-[(2R)-2-(ethylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride?
3-N-[(2R)-2-(ethylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2R)-2-(ethylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 120650058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).