(3S)-3-methoxy-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]piperidine-1-carboxamide

C17H32N2O3 — CID 124615845

IUPAC(3S)-3-methoxy-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]piperidine-1-carboxamide
SMILESCCC(CC)[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](OC)C2)CCO1
InChIInChI=1S/C17H32N2O3/c1-4-13(5-2)16-11-14(8-10-22-16)18-17(20)19-9-6-7-15(12-19)21-3/h13-16H,4-12H2,1-3H3,(H,18,20)/t14-,15-,16-/m0/s1
InChIKeyIXFLIMNDCQZLQS-JYJNAYRXSA-N
MW312.45 g/mol
LogP2.79
Rot. Bonds5

About (3S)-3-methoxy-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]piperidine-1-carboxamide

(3S)-3-methoxy-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]piperidine-1-carboxamide (PubChem CID 124615845) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is (3S)-3-methoxy-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-methoxy-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]piperidine-1-carboxamide
PubChem CID124615845
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Name(3S)-3-methoxy-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]piperidine-1-carboxamide
SMILESCCC(CC)[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](OC)C2)CCO1
InChIInChI=1S/C17H32N2O3/c1-4-13(5-2)16-11-14(8-10-22-16)18-17(20)19-9-6-7-15(12-19)21-3/h13-16H,4-12H2,1-3H3,(H,18,20)/t14-,15-,16-/m0/s1
InChIKeyIXFLIMNDCQZLQS-JYJNAYRXSA-N
XLogP2.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxy-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-methoxy-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]piperidine-1-carboxamide (CID 124615845) is (3S)-3-methoxy-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-methoxy-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-methoxy-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]piperidine-1-carboxamide is CCC(CC)[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](OC)C2)CCO1.
What is the InChIKey of (3S)-3-methoxy-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]piperidine-1-carboxamide?
The InChIKey is IXFLIMNDCQZLQS-JYJNAYRXSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-4-13(5-2)16-11-14(8-10-22-16)18-17(20)19-9-6-7-15(12-19)21-3/h13-16H,4-12H2,1-3H3,(H,18,20)/t14-,15-,16-/m0/s1.
What are the key properties of (3S)-3-methoxy-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]piperidine-1-carboxamide?
(3S)-3-methoxy-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]piperidine-1-carboxamide has a molecular weight of 312.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxy-N-[(2S,4S)-2-pentan-3-yloxan-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 124615845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).