N-[(3S,4S)-4-(hydroxymethyl)-1-(2-methylpropanoyl)piperidin-3-yl]cyclopropanecarboxamide

C14H24N2O3 — CID 91910012

IUPACN-[(3S,4S)-4-(hydroxymethyl)-1-(2-methylpropanoyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCC(C)C(=O)N1CC[C@H](CO)[C@H](NC(=O)C2CC2)C1
InChIInChI=1S/C14H24N2O3/c1-9(2)14(19)16-6-5-11(8-17)12(7-16)15-13(18)10-3-4-10/h9-12,17H,3-8H2,1-2H3,(H,15,18)/t11-,12-/m1/s1
InChIKeyXPTYLYKXPIHDJT-VXGBXAGGSA-N
MW268.36 g/mol
LogP0.38
Rot. Bonds4

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

N-[(3S,4S)-4-(hydroxymethyl)-1-(2-methylpropanoyl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 91910012) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(3S,4S)-4-(hydroxymethyl)-1-(2-methylpropanoyl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(hydroxymethyl)-1-(2-methylpropanoyl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID91910012
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-[(3S,4S)-4-(hydroxymethyl)-1-(2-methylpropanoyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCC(C)C(=O)N1CC[C@H](CO)[C@H](NC(=O)C2CC2)C1
InChIInChI=1S/C14H24N2O3/c1-9(2)14(19)16-6-5-11(8-17)12(7-16)15-13(18)10-3-4-10/h9-12,17H,3-8H2,1-2H3,(H,15,18)/t11-,12-/m1/s1
InChIKeyXPTYLYKXPIHDJT-VXGBXAGGSA-N
XLogP0.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(hydroxymethyl)-1-(2-methylpropanoyl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S,4S)-4-(hydroxymethyl)-1-(2-methylpropanoyl)piperidin-3-yl]cyclopropanecarboxamide (CID 91910012) is N-[(3S,4S)-4-(hydroxymethyl)-1-(2-methylpropanoyl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S,4S)-4-(hydroxymethyl)-1-(2-methylpropanoyl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S,4S)-4-(hydroxymethyl)-1-(2-methylpropanoyl)piperidin-3-yl]cyclopropanecarboxamide is CC(C)C(=O)N1CC[C@H](CO)[C@H](NC(=O)C2CC2)C1.
What is the InChIKey of N-[(3S,4S)-4-(hydroxymethyl)-1-(2-methylpropanoyl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is XPTYLYKXPIHDJT-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9(2)14(19)16-6-5-11(8-17)12(7-16)15-13(18)10-3-4-10/h9-12,17H,3-8H2,1-2H3,(H,15,18)/t11-,12-/m1/s1.
What are the key properties of N-[(3S,4S)-4-(hydroxymethyl)-1-(2-methylpropanoyl)piperidin-3-yl]cyclopropanecarboxamide?
N-[(3S,4S)-4-(hydroxymethyl)-1-(2-methylpropanoyl)piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 268.36 g/mol, XLogP of 0.38, 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-(2-methylpropanoyl)piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 91910012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).