1-(4-amino-3-methoxybutanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride

C16H32ClN3O3 — CID 120591034

IUPAC1-(4-amino-3-methoxybutanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
SMILESCCCC(C)NC(=O)C1CCCN(C(=O)CC(CN)OC)C1.Cl
InChIInChI=1S/C16H31N3O3.ClH/c1-4-6-12(2)18-16(21)13-7-5-8-19(11-13)15(20)9-14(10-17)22-3;/h12-14H,4-11,17H2,1-3H3,(H,18,21);1H
InChIKeyBHDKTEOHUMVMBU-UHFFFAOYSA-N
MW349.90 g/mol
LogP1.32
Rot. Bonds8

About 1-(4-amino-3-methoxybutanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride

1-(4-amino-3-methoxybutanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride (PubChem CID 120591034) has the molecular formula C16H32ClN3O3 and a molecular weight of 349.90 g/mol. Its IUPAC name is 1-(4-amino-3-methoxybutanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-3-methoxybutanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
PubChem CID120591034
Molecular FormulaC16H32ClN3O3
Molecular Weight349.90 g/mol
Exact Mass349.21
IUPAC Name1-(4-amino-3-methoxybutanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
SMILESCCCC(C)NC(=O)C1CCCN(C(=O)CC(CN)OC)C1.Cl
InChIInChI=1S/C16H31N3O3.ClH/c1-4-6-12(2)18-16(21)13-7-5-8-19(11-13)15(20)9-14(10-17)22-3;/h12-14H,4-11,17H2,1-3H3,(H,18,21);1H
InChIKeyBHDKTEOHUMVMBU-UHFFFAOYSA-N
XLogP1.32
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.90
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679
1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120561824
1-[4-(methylamino)butanoyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 119763223
4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one
CID 103154344
4-amino-1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-methoxybutan-1-one
CID 120596449
N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide
CID 119479921
4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one
CID 103155888
4-amino-3-methoxy-1-[3-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 120592110
1-[2-(2-methoxyphenyl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49405666
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 119763227
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119763244

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methoxybutanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(4-amino-3-methoxybutanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride (CID 120591034) is 1-(4-amino-3-methoxybutanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-amino-3-methoxybutanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-amino-3-methoxybutanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride is CCCC(C)NC(=O)C1CCCN(C(=O)CC(CN)OC)C1.Cl.
What is the InChIKey of 1-(4-amino-3-methoxybutanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is BHDKTEOHUMVMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3.ClH/c1-4-6-12(2)18-16(21)13-7-5-8-19(11-13)15(20)9-14(10-17)22-3;/h12-14H,4-11,17H2,1-3H3,(H,18,21);1H.
What are the key properties of 1-(4-amino-3-methoxybutanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride?
1-(4-amino-3-methoxybutanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 349.90 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methoxybutanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120591034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).