(2R)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-(carbamoylamino)-N-methylpropanamide

C19H30N4O2 — CID 97092735

IUPAC(2R)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-(carbamoylamino)-N-methylpropanamide
SMILESC[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1N(C)C(=O)[C@@H](C)NC(N)=O
InChIInChI=1S/C19H30N4O2/c1-13-10-23(12-16-8-6-5-7-9-16)11-14(2)17(13)22(4)18(24)15(3)21-19(20)25/h5-9,13-15,17H,10-12H2,1-4H3,(H3,20,21,25)/t13-,14+,15-,17?/m1/s1
InChIKeyWDVOVSXDKKKTST-AWVCJSPBSA-N
MW346.48 g/mol
LogP1.66
Rot. Bonds5

About (2R)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-(carbamoylamino)-N-methylpropanamide

(2R)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-(carbamoylamino)-N-methylpropanamide (PubChem CID 97092735) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (2R)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-(carbamoylamino)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-(carbamoylamino)-N-methylpropanamide
PubChem CID97092735
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name(2R)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-(carbamoylamino)-N-methylpropanamide
SMILESC[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1N(C)C(=O)[C@@H](C)NC(N)=O
InChIInChI=1S/C19H30N4O2/c1-13-10-23(12-16-8-6-5-7-9-16)11-14(2)17(13)22(4)18(24)15(3)21-19(20)25/h5-9,13-15,17H,10-12H2,1-4H3,(H3,20,21,25)/t13-,14+,15-,17?/m1/s1
InChIKeyWDVOVSXDKKKTST-AWVCJSPBSA-N
XLogP1.66
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-(carbamoylamino)-N-methylpropanamide?
The IUPAC name of (2R)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-(carbamoylamino)-N-methylpropanamide (CID 97092735) is (2R)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-(carbamoylamino)-N-methylpropanamide.
What is the SMILES notation for (2R)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-(carbamoylamino)-N-methylpropanamide?
The canonical SMILES for (2R)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-(carbamoylamino)-N-methylpropanamide is C[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1N(C)C(=O)[C@@H](C)NC(N)=O.
What is the InChIKey of (2R)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-(carbamoylamino)-N-methylpropanamide?
The InChIKey is WDVOVSXDKKKTST-AWVCJSPBSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13-10-23(12-16-8-6-5-7-9-16)11-14(2)17(13)22(4)18(24)15(3)21-19(20)25/h5-9,13-15,17H,10-12H2,1-4H3,(H3,20,21,25)/t13-,14+,15-,17?/m1/s1.
What are the key properties of (2R)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-(carbamoylamino)-N-methylpropanamide?
(2R)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-(carbamoylamino)-N-methylpropanamide has a molecular weight of 346.48 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-(carbamoylamino)-N-methylpropanamide is sourced from PubChem (CID 97092735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).