N-[2-(methylamino)propyl]-1-propanoylpiperidine-3-carboxamide;hydrochloride

C13H26ClN3O2 — CID 120831196

IUPACN-[2-(methylamino)propyl]-1-propanoylpiperidine-3-carboxamide;hydrochloride
SMILESCCC(=O)N1CCCC(C(=O)NCC(C)NC)C1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-4-12(17)16-7-5-6-11(9-16)13(18)15-8-10(2)14-3;/h10-11,14H,4-9H2,1-3H3,(H,15,18);1H
InChIKeyHDMSNBSHYVYELT-UHFFFAOYSA-N
MW291.82 g/mol
LogP0.78
Rot. Bonds5

About N-[2-(methylamino)propyl]-1-propanoylpiperidine-3-carboxamide;hydrochloride

N-[2-(methylamino)propyl]-1-propanoylpiperidine-3-carboxamide;hydrochloride (PubChem CID 120831196) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-1-propanoylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-1-propanoylpiperidine-3-carboxamide;hydrochloride
PubChem CID120831196
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC NameN-[2-(methylamino)propyl]-1-propanoylpiperidine-3-carboxamide;hydrochloride
SMILESCCC(=O)N1CCCC(C(=O)NCC(C)NC)C1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-4-12(17)16-7-5-6-11(9-16)13(18)15-8-10(2)14-3;/h10-11,14H,4-9H2,1-3H3,(H,15,18);1H
InChIKeyHDMSNBSHYVYELT-UHFFFAOYSA-N
XLogP0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide
CID 111429215
1-(cyclopropanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-carboxamide;hydrochloride
CID 120654768
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride
CID 120831343
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide
CID 120829554
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-propanoylpiperidine-3-carboxamide
CID 111451571
1-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-3-carboxamide;hydrochloride
CID 120812924
3-N-[(2R)-2-(ethylamino)propyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120650995
(3S)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide
CID 94799885
(3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide
CID 94884745
N-(3-amino-2-methylpropyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide;hydrochloride
CID 119995887

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-1-propanoylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-1-propanoylpiperidine-3-carboxamide;hydrochloride (CID 120831196) is N-[2-(methylamino)propyl]-1-propanoylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-1-propanoylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-1-propanoylpiperidine-3-carboxamide;hydrochloride is CCC(=O)N1CCCC(C(=O)NCC(C)NC)C1.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-1-propanoylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is HDMSNBSHYVYELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-4-12(17)16-7-5-6-11(9-16)13(18)15-8-10(2)14-3;/h10-11,14H,4-9H2,1-3H3,(H,15,18);1H.
What are the key properties of N-[2-(methylamino)propyl]-1-propanoylpiperidine-3-carboxamide;hydrochloride?
N-[2-(methylamino)propyl]-1-propanoylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-1-propanoylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120831196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).