N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]butanamide;hydrochloride

C14H28ClN3O2 — CID 119761704

IUPACN-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]butanamide;hydrochloride
SMILESCCCC(=O)NC1CCCN(C(=O)C(C)CNC)C1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-4-6-13(18)16-12-7-5-8-17(10-12)14(19)11(2)9-15-3;/h11-12,15H,4-10H2,1-3H3,(H,16,18);1H
InChIKeyHWTNHFOFQRXERM-UHFFFAOYSA-N
MW305.85 g/mol
LogP1.17
Rot. Bonds6

About N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]butanamide;hydrochloride

N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]butanamide;hydrochloride (PubChem CID 119761704) has the molecular formula C14H28ClN3O2 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]butanamide;hydrochloride
PubChem CID119761704
Molecular FormulaC14H28ClN3O2
Molecular Weight305.85 g/mol
Exact Mass305.19
IUPAC NameN-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]butanamide;hydrochloride
SMILESCCCC(=O)NC1CCCN(C(=O)C(C)CNC)C1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-4-6-13(18)16-12-7-5-8-17(10-12)14(19)11(2)9-15-3;/h11-12,15H,4-10H2,1-3H3,(H,16,18);1H
InChIKeyHWTNHFOFQRXERM-UHFFFAOYSA-N
XLogP1.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanamide;hydrochloride
CID 119761692
N-[1-(2-aminoacetyl)piperidin-3-yl]butanamide
CID 119310790
N-[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]propanamide;hydrochloride
CID 119310713
2-methyl-3-(methylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one;dihydrochloride
CID 119858297
N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride
CID 119310793
3-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]propanoic acid
CID 79201596
1-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 103810683
2-methyl-3-(methylamino)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119781918
2-methyl-3-(methylamino)-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119738900
N-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride
CID 119761710
2-methyl-3-(methylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 119700521
N-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide
CID 119761681

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]butanamide;hydrochloride?
The IUPAC name of N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]butanamide;hydrochloride (CID 119761704) is N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]butanamide;hydrochloride.
What is the SMILES notation for N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]butanamide;hydrochloride?
The canonical SMILES for N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]butanamide;hydrochloride is CCCC(=O)NC1CCCN(C(=O)C(C)CNC)C1.Cl.
What is the InChIKey of N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]butanamide;hydrochloride?
The InChIKey is HWTNHFOFQRXERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.ClH/c1-4-6-13(18)16-12-7-5-8-17(10-12)14(19)11(2)9-15-3;/h11-12,15H,4-10H2,1-3H3,(H,16,18);1H.
What are the key properties of N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]butanamide;hydrochloride?
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]butanamide;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-3-yl]butanamide;hydrochloride is sourced from PubChem (CID 119761704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).