(2S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide

C16H26N4O2 — CID 164635902

IUPAC(2S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide
SMILESCC(C)[C@@H](C(=O)NCc1nnc(C2CC2)o1)N1CCCCC1
InChIInChI=1S/C16H26N4O2/c1-11(2)14(20-8-4-3-5-9-20)15(21)17-10-13-18-19-16(22-13)12-6-7-12/h11-12,14H,3-10H2,1-2H3,(H,17,21)/t14-/m0/s1
InChIKeyOBPNACNTRMXPIV-AWEZNQCLSA-N
MW306.41 g/mol
LogP2.07
Rot. Bonds6

About (2S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide

(2S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide (PubChem CID 164635902) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide.

Molecular Properties

Compound Name(2S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide
PubChem CID164635902
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(2S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide
SMILESCC(C)[C@@H](C(=O)NCc1nnc(C2CC2)o1)N1CCCCC1
InChIInChI=1S/C16H26N4O2/c1-11(2)14(20-8-4-3-5-9-20)15(21)17-10-13-18-19-16(22-13)12-6-7-12/h11-12,14H,3-10H2,1-2H3,(H,17,21)/t14-/m0/s1
InChIKeyOBPNACNTRMXPIV-AWEZNQCLSA-N
XLogP2.07
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide?
The IUPAC name of (2S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide (CID 164635902) is (2S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide.
What is the SMILES notation for (2S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide?
The canonical SMILES for (2S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide is CC(C)[C@@H](C(=O)NCc1nnc(C2CC2)o1)N1CCCCC1.
What is the InChIKey of (2S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide?
The InChIKey is OBPNACNTRMXPIV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11(2)14(20-8-4-3-5-9-20)15(21)17-10-13-18-19-16(22-13)12-6-7-12/h11-12,14H,3-10H2,1-2H3,(H,17,21)/t14-/m0/s1.
What are the key properties of (2S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide?
(2S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide has a molecular weight of 306.41 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide is sourced from PubChem (CID 164635902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).