(2S,4S)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C14H27ClN2O2 — CID 120618698

IUPAC(2S,4S)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCCCOCC2CC2)CCN1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-11-9-13(5-7-15-11)14(17)16-6-2-8-18-10-12-3-4-12;/h11-13,15H,2-10H2,1H3,(H,16,17);1H/t11-,13-;/m0./s1
InChIKeyMIAANSACGWWZCO-JZKFLRDJSA-N
MW290.84 g/mol
LogP1.73
Rot. Bonds7

About (2S,4S)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120618698) has the molecular formula C14H27ClN2O2 and a molecular weight of 290.84 g/mol. Its IUPAC name is (2S,4S)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120618698
Molecular FormulaC14H27ClN2O2
Molecular Weight290.84 g/mol
Exact Mass290.18
IUPAC Name(2S,4S)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCCCOCC2CC2)CCN1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-11-9-13(5-7-15-11)14(17)16-6-2-8-18-10-12-3-4-12;/h11-13,15H,2-10H2,1H3,(H,16,17);1H/t11-,13-;/m0./s1
InChIKeyMIAANSACGWWZCO-JZKFLRDJSA-N
XLogP1.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-N-(4-ethoxybutyl)-2-methylpiperidine-4-carboxamide
CID 120622256
(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 120633867
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
N-[3-(cyclopropylmethoxy)propyl]-4-ethylpiperidine-2-carboxamide
CID 114428069
2-methyl-N-[2-(4-methylcyclohexyl)ethyl]piperidine-4-carboxamide
CID 106740120
trans-(1S,2S)-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94166299
(2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 120617690
N-(3-hydroxy-4-methoxybutyl)-2-methylpiperidine-4-carboxamide
CID 106832212
(2S,4S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120624791
(2S,4S)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636684
(2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide
CID 120635200
ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate
CID 106739889

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120618698) is (2S,4S)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NCCCOCC2CC2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is MIAANSACGWWZCO-JZKFLRDJSA-N. The full InChI is InChI=1S/C14H26N2O2.ClH/c1-11-9-13(5-7-15-11)14(17)16-6-2-8-18-10-12-3-4-12;/h11-13,15H,2-10H2,1H3,(H,16,17);1H/t11-,13-;/m0./s1.
What are the key properties of (2S,4S)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 290.84 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120618698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).