(2R,3S)-N-[3-(4-carbamoylpiperidin-1-yl)phenyl]-2-methylmorpholine-3-carboxamide

C18H26N4O3 — CID 120942257

IUPAC(2R,3S)-N-[3-(4-carbamoylpiperidin-1-yl)phenyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C18H26N4O3/c1-12-16(20-7-10-25-12)18(24)21-14-3-2-4-15(11-14)22-8-5-13(6-9-22)17(19)23/h2-4,11-13,16,20H,5-10H2,1H3,(H2,19,23)(H,21,24)/t12-,16+/m1/s1
InChIKeyZHAGEYVMHLJJQH-WBMJQRKESA-N
MW346.43 g/mol
LogP0.70
Rot. Bonds4

About (2R,3S)-N-[3-(4-carbamoylpiperidin-1-yl)phenyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[3-(4-carbamoylpiperidin-1-yl)phenyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120942257) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2R,3S)-N-[3-(4-carbamoylpiperidin-1-yl)phenyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[3-(4-carbamoylpiperidin-1-yl)phenyl]-2-methylmorpholine-3-carboxamide
PubChem CID120942257
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(2R,3S)-N-[3-(4-carbamoylpiperidin-1-yl)phenyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C18H26N4O3/c1-12-16(20-7-10-25-12)18(24)21-14-3-2-4-15(11-14)22-8-5-13(6-9-22)17(19)23/h2-4,11-13,16,20H,5-10H2,1H3,(H2,19,23)(H,21,24)/t12-,16+/m1/s1
InChIKeyZHAGEYVMHLJJQH-WBMJQRKESA-N
XLogP0.70
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[3-(4-carbamoylpiperidin-1-yl)phenyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[3-(4-carbamoylpiperidin-1-yl)phenyl]-2-methylmorpholine-3-carboxamide (CID 120942257) is (2R,3S)-N-[3-(4-carbamoylpiperidin-1-yl)phenyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[3-(4-carbamoylpiperidin-1-yl)phenyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[3-(4-carbamoylpiperidin-1-yl)phenyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of (2R,3S)-N-[3-(4-carbamoylpiperidin-1-yl)phenyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is ZHAGEYVMHLJJQH-WBMJQRKESA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12-16(20-7-10-25-12)18(24)21-14-3-2-4-15(11-14)22-8-5-13(6-9-22)17(19)23/h2-4,11-13,16,20H,5-10H2,1H3,(H2,19,23)(H,21,24)/t12-,16+/m1/s1.
What are the key properties of (2R,3S)-N-[3-(4-carbamoylpiperidin-1-yl)phenyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[3-(4-carbamoylpiperidin-1-yl)phenyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[3-(4-carbamoylpiperidin-1-yl)phenyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120942257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).