N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C20H30ClFN2O3 — CID 120638103

IUPACN-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NC(C)c2ccc(OCC3CC3)c(F)c2)CCNCC1.Cl
InChIInChI=1S/C20H29FN2O3.ClH/c1-14(23-19(24)20(13-25-2)7-9-22-10-8-20)16-5-6-18(17(21)11-16)26-12-15-3-4-15;/h5-6,11,14-15,22H,3-4,7-10,12-13H2,1-2H3,(H,23,24);1H
InChIKeyDQXUCTYHXVEESM-UHFFFAOYSA-N
MW400.92 g/mol
LogP3.23
Rot. Bonds8

About N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120638103) has the molecular formula C20H30ClFN2O3 and a molecular weight of 400.92 g/mol. Its IUPAC name is N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120638103
Molecular FormulaC20H30ClFN2O3
Molecular Weight400.92 g/mol
Exact Mass400.19
IUPAC NameN-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NC(C)c2ccc(OCC3CC3)c(F)c2)CCNCC1.Cl
InChIInChI=1S/C20H29FN2O3.ClH/c1-14(23-19(24)20(13-25-2)7-9-22-10-8-20)16-5-6-18(17(21)11-16)26-12-15-3-4-15;/h5-6,11,14-15,22H,3-4,7-10,12-13H2,1-2H3,(H,23,24);1H
InChIKeyDQXUCTYHXVEESM-UHFFFAOYSA-N
XLogP3.23
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.92
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637838
N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 125443369
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120635632
4-(methoxymethyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 120623456
(2S,4S)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120638097
4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120620295
N-[1-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617790
4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 120620296
4-(methoxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120621541
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120622064
N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617899
4-(methoxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 120622091

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120638103) is N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NC(C)c2ccc(OCC3CC3)c(F)c2)CCNCC1.Cl.
What is the InChIKey of N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is DQXUCTYHXVEESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O3.ClH/c1-14(23-19(24)20(13-25-2)7-9-22-10-8-20)16-5-6-18(17(21)11-16)26-12-15-3-4-15;/h5-6,11,14-15,22H,3-4,7-10,12-13H2,1-2H3,(H,23,24);1H.
What are the key properties of N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 400.92 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120638103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).