N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-piperidin-1-ylbutanamide

C18H30N2O3 — CID 96570436

IUPACN-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-piperidin-1-ylbutanamide
SMILESCc1cc([C@@](C)(O)CNC(=O)CCCN2CCCCC2)c(C)o1
InChIInChI=1S/C18H30N2O3/c1-14-12-16(15(2)23-14)18(3,22)13-19-17(21)8-7-11-20-9-5-4-6-10-20/h12,22H,4-11,13H2,1-3H3,(H,19,21)/t18-/m0/s1
InChIKeyKCBIRPBUDZOJFL-SFHVURJKSA-N
MW322.45 g/mol
LogP2.49
Rot. Bonds7

About N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-piperidin-1-ylbutanamide

N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-piperidin-1-ylbutanamide (PubChem CID 96570436) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-piperidin-1-ylbutanamide
PubChem CID96570436
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC NameN-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-piperidin-1-ylbutanamide
SMILESCc1cc([C@@](C)(O)CNC(=O)CCCN2CCCCC2)c(C)o1
InChIInChI=1S/C18H30N2O3/c1-14-12-16(15(2)23-14)18(3,22)13-19-17(21)8-7-11-20-9-5-4-6-10-20/h12,22H,4-11,13H2,1-3H3,(H,19,21)/t18-/m0/s1
InChIKeyKCBIRPBUDZOJFL-SFHVURJKSA-N
XLogP2.49
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
(3S)-1-(azepan-1-yl)-3-[[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]butan-1-one
CID 97232737
1-(azepan-1-yl)-3-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]butan-1-one
CID 84588088
N-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 111479033
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 111479151
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-methylcyclohexane-1-carboxamide
CID 111479183
1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 111478882
1-acetamido-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 96570426
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 71985014
1-cyano-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 111520032
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide
CID 111478844
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide
CID 111479268

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-piperidin-1-ylbutanamide (CID 96570436) is N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-piperidin-1-ylbutanamide is Cc1cc([C@@](C)(O)CNC(=O)CCCN2CCCCC2)c(C)o1.
What is the InChIKey of N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-piperidin-1-ylbutanamide?
The InChIKey is KCBIRPBUDZOJFL-SFHVURJKSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-14-12-16(15(2)23-14)18(3,22)13-19-17(21)8-7-11-20-9-5-4-6-10-20/h12,22H,4-11,13H2,1-3H3,(H,19,21)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-piperidin-1-ylbutanamide?
N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-piperidin-1-ylbutanamide has a molecular weight of 322.45 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 96570436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).