N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide

C18H30N2O4 — CID 111438580

IUPACN-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(C)COCC(NC(=O)N1CCC(C(C)O)CC1)c1ccco1
InChIInChI=1S/C18H30N2O4/c1-13(2)11-23-12-16(17-5-4-10-24-17)19-18(22)20-8-6-15(7-9-20)14(3)21/h4-5,10,13-16,21H,6-9,11-12H2,1-3H3,(H,19,22)
InChIKeyNTCVCXUSMZOJNJ-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.80
Rot. Bonds7

About N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide

N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 111438580) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID111438580
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC NameN-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(C)COCC(NC(=O)N1CCC(C(C)O)CC1)c1ccco1
InChIInChI=1S/C18H30N2O4/c1-13(2)11-23-12-16(17-5-4-10-24-17)19-18(22)20-8-6-15(7-9-20)14(3)21/h4-5,10,13-16,21H,6-9,11-12H2,1-3H3,(H,19,22)
InChIKeyNTCVCXUSMZOJNJ-UHFFFAOYSA-N
XLogP2.80
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine
CID 119110601
4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide
CID 111438385
N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-methylfuran-3-carboxamide
CID 95293966
4-[(1R)-1-hydroxyethyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-1-carboxamide
CID 95348703
N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 94818587
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
CID 138002210
N-[(2S)-1-[[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 95300670
1-N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 119036267
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyrazine-2-carboxamide
CID 51105520
4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide
CID 52513156
N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438235
4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111438806

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide (CID 111438580) is N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide is CC(C)COCC(NC(=O)N1CCC(C(C)O)CC1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is NTCVCXUSMZOJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-13(2)11-23-12-16(17-5-4-10-24-17)19-18(22)20-8-6-15(7-9-20)14(3)21/h4-5,10,13-16,21H,6-9,11-12H2,1-3H3,(H,19,22).
What are the key properties of N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111438580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).