(2S,4S)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C19H28ClFN2O2 — CID 120638097

IUPAC(2S,4S)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCC(NC(=O)[C@H]1CCN[C@@H](C)C1)c1ccc(OCC2CC2)c(F)c1.Cl
InChIInChI=1S/C19H27FN2O2.ClH/c1-12-9-16(7-8-21-12)19(23)22-13(2)15-5-6-18(17(20)10-15)24-11-14-3-4-14;/h5-6,10,12-14,16,21H,3-4,7-9,11H2,1-2H3,(H,22,23);1H/t12-,13?,16-;/m0./s1
InChIKeyGMQANYNJQVTLAF-MEIQIVFVSA-N
MW370.90 g/mol
LogP3.60
Rot. Bonds6

About (2S,4S)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120638097) has the molecular formula C19H28ClFN2O2 and a molecular weight of 370.90 g/mol. Its IUPAC name is (2S,4S)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120638097
Molecular FormulaC19H28ClFN2O2
Molecular Weight370.90 g/mol
Exact Mass370.18
IUPAC Name(2S,4S)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCC(NC(=O)[C@H]1CCN[C@@H](C)C1)c1ccc(OCC2CC2)c(F)c1.Cl
InChIInChI=1S/C19H27FN2O2.ClH/c1-12-9-16(7-8-21-12)19(23)22-13(2)15-5-6-18(17(20)10-15)24-11-14-3-4-14;/h5-6,10,12-14,16,21H,3-4,7-9,11H2,1-2H3,(H,22,23);1H/t12-,13?,16-;/m0./s1
InChIKeyGMQANYNJQVTLAF-MEIQIVFVSA-N
XLogP3.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120637835
(2S,4S)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120625124
(2S,4S)-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624769
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106739144
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740405
N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120638103
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 71852475
N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 71919678
(2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 120622085
(2S,4S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636090
(2S,4S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120636091

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120638097) is (2S,4S)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is CC(NC(=O)[C@H]1CCN[C@@H](C)C1)c1ccc(OCC2CC2)c(F)c1.Cl.
What is the InChIKey of (2S,4S)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is GMQANYNJQVTLAF-MEIQIVFVSA-N. The full InChI is InChI=1S/C19H27FN2O2.ClH/c1-12-9-16(7-8-21-12)19(23)22-13(2)15-5-6-18(17(20)10-15)24-11-14-3-4-14;/h5-6,10,12-14,16,21H,3-4,7-9,11H2,1-2H3,(H,22,23);1H/t12-,13?,16-;/m0./s1.
What are the key properties of (2S,4S)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 370.90 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120638097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).