(3S)-3-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-1-carboxamide

C16H31N3O — CID 95637927

IUPAC(3S)-3-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-1-carboxamide
SMILESCC(C)CN1CCC(NC(=O)N2CCC[C@H](C)C2)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)11-18-9-6-15(7-10-18)17-16(20)19-8-4-5-14(3)12-19/h13-15H,4-12H2,1-3H3,(H,17,20)/t14-/m0/s1
InChIKeyMTJQXMNDVNIPSH-AWEZNQCLSA-N
MW281.44 g/mol
LogP2.55
Rot. Bonds3

About (3S)-3-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-1-carboxamide

(3S)-3-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-1-carboxamide (PubChem CID 95637927) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is (3S)-3-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-1-carboxamide
PubChem CID95637927
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name(3S)-3-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-1-carboxamide
SMILESCC(C)CN1CCC(NC(=O)N2CCC[C@H](C)C2)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)11-18-9-6-15(7-10-18)17-16(20)19-8-4-5-14(3)12-19/h13-15H,4-12H2,1-3H3,(H,17,20)/t14-/m0/s1
InChIKeyMTJQXMNDVNIPSH-AWEZNQCLSA-N
XLogP2.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-1-carboxamide (CID 95637927) is (3S)-3-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-1-carboxamide is CC(C)CN1CCC(NC(=O)N2CCC[C@H](C)C2)CC1.
What is the InChIKey of (3S)-3-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-1-carboxamide?
The InChIKey is MTJQXMNDVNIPSH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(2)11-18-9-6-15(7-10-18)17-16(20)19-8-4-5-14(3)12-19/h13-15H,4-12H2,1-3H3,(H,17,20)/t14-/m0/s1.
What are the key properties of (3S)-3-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-1-carboxamide?
(3S)-3-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 95637927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).