(2S,4S)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride

C16H30ClN3O — CID 120633533

IUPAC(2S,4S)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NC2CCN(CC3CC3)CC2)CCN1.Cl
InChIInChI=1S/C16H29N3O.ClH/c1-12-10-14(4-7-17-12)16(20)18-15-5-8-19(9-6-15)11-13-2-3-13;/h12-15,17H,2-11H2,1H3,(H,18,20);1H/t12-,14-;/m0./s1
InChIKeyMVUPAEBTAGFVPM-KYSPHBLOSA-N
MW315.89 g/mol
LogP1.79
Rot. Bonds4

About (2S,4S)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120633533) has the molecular formula C16H30ClN3O and a molecular weight of 315.89 g/mol. Its IUPAC name is (2S,4S)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120633533
Molecular FormulaC16H30ClN3O
Molecular Weight315.89 g/mol
Exact Mass315.21
IUPAC Name(2S,4S)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NC2CCN(CC3CC3)CC2)CCN1.Cl
InChIInChI=1S/C16H29N3O.ClH/c1-12-10-14(4-7-17-12)16(20)18-15-5-8-19(9-6-15)11-13-2-3-13;/h12-15,17H,2-11H2,1H3,(H,18,20);1H/t12-,14-;/m0./s1
InChIKeyMVUPAEBTAGFVPM-KYSPHBLOSA-N
XLogP1.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.89
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide
CID 106739107
(2S,4S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631803
N-cyclohexyl-2-methylpiperidine-4-carboxamide
CID 106738484
(2S,4S)-2-methyl-N-(3-methylcyclobutyl)piperidine-4-carboxamide
CID 120633929
(2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride
CID 120637437
N-(4-carbamoylcyclohexyl)-2-methylpiperidine-4-carboxamide
CID 106738893
(2S,4S)-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide;hydrochloride
CID 120636947
2-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 106739127
(2S,4S)-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 120618489
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 120637070
(2S,4S)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide
CID 120638469
N-(1,3-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide
CID 106740745

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120633533) is (2S,4S)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NC2CCN(CC3CC3)CC2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is MVUPAEBTAGFVPM-KYSPHBLOSA-N. The full InChI is InChI=1S/C16H29N3O.ClH/c1-12-10-14(4-7-17-12)16(20)18-15-5-8-19(9-6-15)11-13-2-3-13;/h12-15,17H,2-11H2,1H3,(H,18,20);1H/t12-,14-;/m0./s1.
What are the key properties of (2S,4S)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 315.89 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120633533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).