N-[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]piperidine-1-carboxamide

C15H29N3O2 — CID 67191805

IUPACN-[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](CC1CCOCC1)NC(=O)N1CCCCC1
InChIInChI=1S/C15H29N3O2/c1-16-12-14(11-13-5-9-20-10-6-13)17-15(19)18-7-3-2-4-8-18/h13-14,16H,2-12H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyICFISOMPEBADIF-AWEZNQCLSA-N
MW283.42 g/mol
LogP1.59
Rot. Bonds5

About N-[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]piperidine-1-carboxamide

N-[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]piperidine-1-carboxamide (PubChem CID 67191805) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]piperidine-1-carboxamide
PubChem CID67191805
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](CC1CCOCC1)NC(=O)N1CCCCC1
InChIInChI=1S/C15H29N3O2/c1-16-12-14(11-13-5-9-20-10-6-13)17-15(19)18-7-3-2-4-8-18/h13-14,16H,2-12H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyICFISOMPEBADIF-AWEZNQCLSA-N
XLogP1.59
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]piperidine-1-carboxamide (CID 67191805) is N-[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]piperidine-1-carboxamide is CNC[C@H](CC1CCOCC1)NC(=O)N1CCCCC1.
What is the InChIKey of N-[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is ICFISOMPEBADIF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-16-12-14(11-13-5-9-20-10-6-13)17-15(19)18-7-3-2-4-8-18/h13-14,16H,2-12H2,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]piperidine-1-carboxamide?
N-[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 67191805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).