(3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide

C19H35N3O2 — CID 124777449

IUPAC(3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
SMILESCC1CCN(C[C@@H]2CCCN(C(=O)N[C@@H](C)[C@H]3CCCO3)C2)CC1
InChIInChI=1S/C19H35N3O2/c1-15-7-10-21(11-8-15)13-17-5-3-9-22(14-17)19(23)20-16(2)18-6-4-12-24-18/h15-18H,3-14H2,1-2H3,(H,20,23)/t16-,17-,18+/m0/s1
InChIKeyMXNBSUGJMYJHOK-OKZBNKHCSA-N
MW337.51 g/mol
LogP2.71
Rot. Bonds4

About (3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide

(3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide (PubChem CID 124777449) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is (3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
PubChem CID124777449
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name(3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
SMILESCC1CCN(C[C@@H]2CCCN(C(=O)N[C@@H](C)[C@H]3CCCO3)C2)CC1
InChIInChI=1S/C19H35N3O2/c1-15-7-10-21(11-8-15)13-17-5-3-9-22(14-17)19(23)20-16(2)18-6-4-12-24-18/h15-18H,3-14H2,1-2H3,(H,20,23)/t16-,17-,18+/m0/s1
InChIKeyMXNBSUGJMYJHOK-OKZBNKHCSA-N
XLogP2.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide (CID 124777449) is (3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide is CC1CCN(C[C@@H]2CCCN(C(=O)N[C@@H](C)[C@H]3CCCO3)C2)CC1.
What is the InChIKey of (3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is MXNBSUGJMYJHOK-OKZBNKHCSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-15-7-10-21(11-8-15)13-17-5-3-9-22(14-17)19(23)20-16(2)18-6-4-12-24-18/h15-18H,3-14H2,1-2H3,(H,20,23)/t16-,17-,18+/m0/s1.
What are the key properties of (3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide?
(3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide has a molecular weight of 337.51 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 124777449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).