3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide

C16H29N3O2 — CID 56795277

IUPAC3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCCC(CC(=O)NCC2CC2)C1
InChIInChI=1S/C16H29N3O2/c1-12(2)9-18-16(21)19-7-3-4-14(11-19)8-15(20)17-10-13-5-6-13/h12-14H,3-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeySQWWTUBONBHKOD-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.98
Rot. Bonds6

About 3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide

3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide (PubChem CID 56795277) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
PubChem CID56795277
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCCC(CC(=O)NCC2CC2)C1
InChIInChI=1S/C16H29N3O2/c1-12(2)9-18-16(21)19-7-3-4-14(11-19)8-15(20)17-10-13-5-6-13/h12-14H,3-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeySQWWTUBONBHKOD-UHFFFAOYSA-N
XLogP1.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
The IUPAC name of 3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide (CID 56795277) is 3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide is CC(C)CNC(=O)N1CCCC(CC(=O)NCC2CC2)C1.
What is the InChIKey of 3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
The InChIKey is SQWWTUBONBHKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(2)9-18-16(21)19-7-3-4-14(11-19)8-15(20)17-10-13-5-6-13/h12-14H,3-11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide?
3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 56795277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).