(3S)-3-N-(1-cyanocyclobutyl)-3-N-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide

C16H26N4O2 — CID 95142294

IUPAC(3S)-3-N-(1-cyanocyclobutyl)-3-N-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
SMILESCC(C)NC(=O)N1CCC[C@H](C(=O)N(C)C2(C#N)CCC2)C1
InChIInChI=1S/C16H26N4O2/c1-12(2)18-15(22)20-9-4-6-13(10-20)14(21)19(3)16(11-17)7-5-8-16/h12-13H,4-10H2,1-3H3,(H,18,22)/t13-/m0/s1
InChIKeyNPFCAUOVRPYWQZ-ZDUSSCGKSA-N
MW306.41 g/mol
LogP1.72
Rot. Bonds3

About (3S)-3-N-(1-cyanocyclobutyl)-3-N-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide

(3S)-3-N-(1-cyanocyclobutyl)-3-N-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide (PubChem CID 95142294) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3S)-3-N-(1-cyanocyclobutyl)-3-N-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-(1-cyanocyclobutyl)-3-N-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
PubChem CID95142294
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(3S)-3-N-(1-cyanocyclobutyl)-3-N-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
SMILESCC(C)NC(=O)N1CCC[C@H](C(=O)N(C)C2(C#N)CCC2)C1
InChIInChI=1S/C16H26N4O2/c1-12(2)18-15(22)20-9-4-6-13(10-20)14(21)19(3)16(11-17)7-5-8-16/h12-13H,4-10H2,1-3H3,(H,18,22)/t13-/m0/s1
InChIKeyNPFCAUOVRPYWQZ-ZDUSSCGKSA-N
XLogP1.72
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-(1-cyanocyclobutyl)-3-N-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-(1-cyanocyclobutyl)-3-N-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide (CID 95142294) is (3S)-3-N-(1-cyanocyclobutyl)-3-N-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-(1-cyanocyclobutyl)-3-N-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-(1-cyanocyclobutyl)-3-N-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide is CC(C)NC(=O)N1CCC[C@H](C(=O)N(C)C2(C#N)CCC2)C1.
What is the InChIKey of (3S)-3-N-(1-cyanocyclobutyl)-3-N-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The InChIKey is NPFCAUOVRPYWQZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12(2)18-15(22)20-9-4-6-13(10-20)14(21)19(3)16(11-17)7-5-8-16/h12-13H,4-10H2,1-3H3,(H,18,22)/t13-/m0/s1.
What are the key properties of (3S)-3-N-(1-cyanocyclobutyl)-3-N-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
(3S)-3-N-(1-cyanocyclobutyl)-3-N-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-(1-cyanocyclobutyl)-3-N-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 95142294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).