1-[(2S)-2-amino-3-methylbutanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;hydrochloride

C18H37ClN4O2 — CID 119301954

IUPAC1-[(2S)-2-amino-3-methylbutanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(C)[C@H](N)C(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1.Cl
InChIInChI=1S/C18H36N4O2.ClH/c1-13(2)15(19)17(24)22-9-7-14(8-10-22)16(23)20-11-18(3,4)12-21(5)6;/h13-15H,7-12,19H2,1-6H3,(H,20,23);1H/t15-;/m0./s1
InChIKeyUMIGFIOPBADSGS-RSAXXLAASA-N
MW376.97 g/mol
LogP1.33
Rot. Bonds7

About 1-[(2S)-2-amino-3-methylbutanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;hydrochloride

1-[(2S)-2-amino-3-methylbutanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119301954) has the molecular formula C18H37ClN4O2 and a molecular weight of 376.97 g/mol. Its IUPAC name is 1-[(2S)-2-amino-3-methylbutanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(2S)-2-amino-3-methylbutanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119301954
Molecular FormulaC18H37ClN4O2
Molecular Weight376.97 g/mol
Exact Mass376.26
IUPAC Name1-[(2S)-2-amino-3-methylbutanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(C)[C@H](N)C(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1.Cl
InChIInChI=1S/C18H36N4O2.ClH/c1-13(2)15(19)17(24)22-9-7-14(8-10-22)16(23)20-11-18(3,4)12-21(5)6;/h13-15H,7-12,19H2,1-6H3,(H,20,23);1H/t15-;/m0./s1
InChIKeyUMIGFIOPBADSGS-RSAXXLAASA-N
XLogP1.33
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.97
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-amino-3-methylbutanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 95774822
1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 61162789
1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 3920070
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide
CID 56552655
(2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 79011713
1-(3,5-dimethoxybenzoyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55719801
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[5-(dipropylamino)-5-oxopentanoyl]piperidine-4-carboxamide
CID 56552654
(2R)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 79012715
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 46949905
1-[(2S)-2-amino-3-methylbutanoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119308575
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 51362752
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxamide
CID 52760830

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-3-methylbutanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[(2S)-2-amino-3-methylbutanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;hydrochloride (CID 119301954) is 1-[(2S)-2-amino-3-methylbutanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(2S)-2-amino-3-methylbutanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[(2S)-2-amino-3-methylbutanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;hydrochloride is CC(C)[C@H](N)C(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1.Cl.
What is the InChIKey of 1-[(2S)-2-amino-3-methylbutanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is UMIGFIOPBADSGS-RSAXXLAASA-N. The full InChI is InChI=1S/C18H36N4O2.ClH/c1-13(2)15(19)17(24)22-9-7-14(8-10-22)16(23)20-11-18(3,4)12-21(5)6;/h13-15H,7-12,19H2,1-6H3,(H,20,23);1H/t15-;/m0./s1.
What are the key properties of 1-[(2S)-2-amino-3-methylbutanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;hydrochloride?
1-[(2S)-2-amino-3-methylbutanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 376.97 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-3-methylbutanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119301954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).