(3S)-N-(1-adamantyl)-1-methylpiperidine-3-carboxamide

C17H28N2O — CID 99970201

IUPAC(3S)-N-(1-adamantyl)-1-methylpiperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C17H28N2O/c1-19-4-2-3-15(11-19)16(20)18-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-15H,2-11H2,1H3,(H,18,20)/t12?,13?,14?,15-,17?/m0/s1
InChIKeyGSQCEVHUQBKTNS-RDVIWEACSA-N
MW276.42 g/mol
LogP2.41
Rot. Bonds2

About (3S)-N-(1-adamantyl)-1-methylpiperidine-3-carboxamide

(3S)-N-(1-adamantyl)-1-methylpiperidine-3-carboxamide (PubChem CID 99970201) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (3S)-N-(1-adamantyl)-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-adamantyl)-1-methylpiperidine-3-carboxamide
PubChem CID99970201
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(3S)-N-(1-adamantyl)-1-methylpiperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C17H28N2O/c1-19-4-2-3-15(11-19)16(20)18-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-15H,2-11H2,1H3,(H,18,20)/t12?,13?,14?,15-,17?/m0/s1
InChIKeyGSQCEVHUQBKTNS-RDVIWEACSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-adamantyl)-1-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(1-adamantyl)-1-methylpiperidine-3-carboxamide (CID 99970201) is (3S)-N-(1-adamantyl)-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1-adamantyl)-1-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1-adamantyl)-1-methylpiperidine-3-carboxamide is CN1CCC[C@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of (3S)-N-(1-adamantyl)-1-methylpiperidine-3-carboxamide?
The InChIKey is GSQCEVHUQBKTNS-RDVIWEACSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19-4-2-3-15(11-19)16(20)18-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-15H,2-11H2,1H3,(H,18,20)/t12?,13?,14?,15-,17?/m0/s1.
What are the key properties of (3S)-N-(1-adamantyl)-1-methylpiperidine-3-carboxamide?
(3S)-N-(1-adamantyl)-1-methylpiperidine-3-carboxamide has a molecular weight of 276.42 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-adamantyl)-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 99970201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).