(2S,4S)-N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-methylpiperidine-4-carboxamide;hydrochloride

C17H23ClN2O — CID 120639152

IUPAC(2S,4S)-N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NC2C3Cc4ccccc4C32)CCN1.Cl
InChIInChI=1S/C17H22N2O.ClH/c1-10-8-12(6-7-18-10)17(20)19-16-14-9-11-4-2-3-5-13(11)15(14)16;/h2-5,10,12,14-16,18H,6-9H2,1H3,(H,19,20);1H/t10-,12-,14?,15?,16?;/m0./s1
InChIKeyNOFKXEGVDGPSMB-OFVCTVFBSA-N
MW306.84 g/mol
LogP2.25
Rot. Bonds2

About (2S,4S)-N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120639152) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is (2S,4S)-N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120639152
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name(2S,4S)-N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NC2C3Cc4ccccc4C32)CCN1.Cl
InChIInChI=1S/C17H22N2O.ClH/c1-10-8-12(6-7-18-10)17(20)19-16-14-9-11-4-2-3-5-13(11)15(14)16;/h2-5,10,12,14-16,18H,6-9H2,1H3,(H,19,20);1H/t10-,12-,14?,15?,16?;/m0./s1
InChIKeyNOFKXEGVDGPSMB-OFVCTVFBSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,4S)-N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-methylpiperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

(2S,4S)-N-(2,3-dihydro-1H-inden-1-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632479
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
(2S,4S)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-4-carboxamide
CID 120625253
(2S,4S)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120644886
(2S,4S)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide
CID 120647087
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
(2S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-N,2-dimethylpiperidine-4-carboxamide
CID 120625197
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119822559
1,3-dihydroisoindol-2-yl-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120631484
(2S,4S)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633713
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120639152) is (2S,4S)-N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NC2C3Cc4ccccc4C32)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is NOFKXEGVDGPSMB-OFVCTVFBSA-N. The full InChI is InChI=1S/C17H22N2O.ClH/c1-10-8-12(6-7-18-10)17(20)19-16-14-9-11-4-2-3-5-13(11)15(14)16;/h2-5,10,12,14-16,18H,6-9H2,1H3,(H,19,20);1H/t10-,12-,14?,15?,16?;/m0./s1.
What are the key properties of (2S,4S)-N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120639152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).