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

C18H30N4O2 — CID 119773226

IUPACN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
SMILESCC(C)C(NC(=O)CC(C)C1CCNCC1)c1nc(C2CC2)no1
InChIInChI=1S/C18H30N4O2/c1-11(2)16(18-21-17(22-24-18)14-4-5-14)20-15(23)10-12(3)13-6-8-19-9-7-13/h11-14,16,19H,4-10H2,1-3H3,(H,20,23)
InChIKeyXLSPDJLMFZCODD-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.79
Rot. Bonds7

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

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-piperidin-4-ylbutanamide (PubChem CID 119773226) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
PubChem CID119773226
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
SMILESCC(C)C(NC(=O)CC(C)C1CCNCC1)c1nc(C2CC2)no1
InChIInChI=1S/C18H30N4O2/c1-11(2)16(18-21-17(22-24-18)14-4-5-14)20-15(23)10-12(3)13-6-8-19-9-7-13/h11-14,16,19H,4-10H2,1-3H3,(H,20,23)
InChIKeyXLSPDJLMFZCODD-UHFFFAOYSA-N
XLogP2.79
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-phenylpropanamide
CID 119951202
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]oxirane-2-carboxamide
CID 154880207
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119693492
trans-(1S,2S)-2-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132128
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine
CID 59361300
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 95232256
1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(2-hydroxycyclohexyl)urea
CID 110933429
N-butan-2-yl-3-piperidin-4-ylbutanamide
CID 119669606
2-(aminomethyl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 119773224
5-butan-2-yl-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63014682
3-piperidin-4-yl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119767317
1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(1-cyclopropylpiperidin-4-yl)urea
CID 95324847

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-piperidin-4-ylbutanamide (CID 119773226) is N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-piperidin-4-ylbutanamide is CC(C)C(NC(=O)CC(C)C1CCNCC1)c1nc(C2CC2)no1.
What is the InChIKey of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-piperidin-4-ylbutanamide?
The InChIKey is XLSPDJLMFZCODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-11(2)16(18-21-17(22-24-18)14-4-5-14)20-15(23)10-12(3)13-6-8-19-9-7-13/h11-14,16,19H,4-10H2,1-3H3,(H,20,23).
What are the key properties of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-piperidin-4-ylbutanamide?
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-piperidin-4-ylbutanamide has a molecular weight of 334.46 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119773226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).