N-[(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-yl]cyclopropanecarboxamide

C13H24N2O2 — CID 91920868

IUPACN-[(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-yl]cyclopropanecarboxamide
SMILESCC(C)N1CC[C@H](CO)[C@H](NC(=O)C2CC2)C1
InChIInChI=1S/C13H24N2O2/c1-9(2)15-6-5-11(8-16)12(7-15)14-13(17)10-3-4-10/h9-12,16H,3-8H2,1-2H3,(H,14,17)/t11-,12-/m1/s1
InChIKeyIZYAQFPBSFVNKW-VXGBXAGGSA-N
MW240.35 g/mol
LogP0.60
Rot. Bonds4

About N-[(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-yl]cyclopropanecarboxamide

N-[(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-yl]cyclopropanecarboxamide (PubChem CID 91920868) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-yl]cyclopropanecarboxamide
PubChem CID91920868
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-yl]cyclopropanecarboxamide
SMILESCC(C)N1CC[C@H](CO)[C@H](NC(=O)C2CC2)C1
InChIInChI=1S/C13H24N2O2/c1-9(2)15-6-5-11(8-16)12(7-15)14-13(17)10-3-4-10/h9-12,16H,3-8H2,1-2H3,(H,14,17)/t11-,12-/m1/s1
InChIKeyIZYAQFPBSFVNKW-VXGBXAGGSA-N
XLogP0.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide
CID 25236585
N-[(3S,4S)-1-(cyclohexylmethyl)-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 91905819
(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-ol
CID 166157415
N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
CID 91920850
1-[2-(hydroxymethyl)cyclohexyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea
CID 111630932
N-[1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 156611146
(3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide
CID 130272211
N-[2-(hydroxymethyl)cyclohexyl]cyclooctanecarboxamide
CID 103860474
N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]propanamide
CID 130272361
N-[2-(hydroxymethyl)cyclohexyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 103860413
cyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone
CID 58803042
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-yl]cyclopropanecarboxamide (CID 91920868) is N-[(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-yl]cyclopropanecarboxamide is CC(C)N1CC[C@H](CO)[C@H](NC(=O)C2CC2)C1.
What is the InChIKey of N-[(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is IZYAQFPBSFVNKW-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)15-6-5-11(8-16)12(7-15)14-13(17)10-3-4-10/h9-12,16H,3-8H2,1-2H3,(H,14,17)/t11-,12-/m1/s1.
What are the key properties of N-[(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-yl]cyclopropanecarboxamide?
N-[(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 91920868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).