(3R,5R,6R)-N-[2-(dimethylamino)ethylcarbamoyl]-1,6-dimethyl-5-(2-oxopropyl)-N-(2-phenylethyl)piperidine-3-carboxamide;molecular hydrogen

C24H40N4O3 — CID 144670588

IUPAC(3R,5R,6R)-N-[2-(dimethylamino)ethylcarbamoyl]-1,6-dimethyl-5-(2-oxopropyl)-N-(2-phenylethyl)piperidine-3-carboxamide;molecular hydrogen
SMILESCC(=O)C[C@H]1C[C@@H](C(=O)N(CCc2ccccc2)C(=O)NCCN(C)C)CN(C)[C@@H]1C.[H][H]
InChIInChI=1S/C24H38N4O3.H2/c1-18(29)15-21-16-22(17-27(5)19(21)2)23(30)28(24(31)25-12-14-26(3)4)13-11-20-9-7-6-8-10-20;/h6-10,19,21-22H,11-17H2,1-5H3,(H,25,31);1H/t19-,21+,22-;/m1./s1
InChIKeyYUKLMHUHQZWAOZ-VZOQGOGTSA-N
MW432.61 g/mol
LogP2.51
Rot. Bonds9

About (3R,5R,6R)-N-[2-(dimethylamino)ethylcarbamoyl]-1,6-dimethyl-5-(2-oxopropyl)-N-(2-phenylethyl)piperidine-3-carboxamide;molecular hydrogen

(3R,5R,6R)-N-[2-(dimethylamino)ethylcarbamoyl]-1,6-dimethyl-5-(2-oxopropyl)-N-(2-phenylethyl)piperidine-3-carboxamide;molecular hydrogen (PubChem CID 144670588) has the molecular formula C24H40N4O3 and a molecular weight of 432.61 g/mol. Its IUPAC name is (3R,5R,6R)-N-[2-(dimethylamino)ethylcarbamoyl]-1,6-dimethyl-5-(2-oxopropyl)-N-(2-phenylethyl)piperidine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name(3R,5R,6R)-N-[2-(dimethylamino)ethylcarbamoyl]-1,6-dimethyl-5-(2-oxopropyl)-N-(2-phenylethyl)piperidine-3-carboxamide;molecular hydrogen
PubChem CID144670588
Molecular FormulaC24H40N4O3
Molecular Weight432.61 g/mol
Exact Mass432.31
IUPAC Name(3R,5R,6R)-N-[2-(dimethylamino)ethylcarbamoyl]-1,6-dimethyl-5-(2-oxopropyl)-N-(2-phenylethyl)piperidine-3-carboxamide;molecular hydrogen
SMILESCC(=O)C[C@H]1C[C@@H](C(=O)N(CCc2ccccc2)C(=O)NCCN(C)C)CN(C)[C@@H]1C.[H][H]
InChIInChI=1S/C24H38N4O3.H2/c1-18(29)15-21-16-22(17-27(5)19(21)2)23(30)28(24(31)25-12-14-26(3)4)13-11-20-9-7-6-8-10-20;/h6-10,19,21-22H,11-17H2,1-5H3,(H,25,31);1H/t19-,21+,22-;/m1./s1
InChIKeyYUKLMHUHQZWAOZ-VZOQGOGTSA-N
XLogP2.51
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5R,6R)-N-[2-(dimethylamino)ethylcarbamoyl]-1,6-dimethyl-5-(2-oxopropyl)-N-(2-phenylethyl)piperidine-3-carboxamide;molecular hydrogen?
The IUPAC name of (3R,5R,6R)-N-[2-(dimethylamino)ethylcarbamoyl]-1,6-dimethyl-5-(2-oxopropyl)-N-(2-phenylethyl)piperidine-3-carboxamide;molecular hydrogen (CID 144670588) is (3R,5R,6R)-N-[2-(dimethylamino)ethylcarbamoyl]-1,6-dimethyl-5-(2-oxopropyl)-N-(2-phenylethyl)piperidine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for (3R,5R,6R)-N-[2-(dimethylamino)ethylcarbamoyl]-1,6-dimethyl-5-(2-oxopropyl)-N-(2-phenylethyl)piperidine-3-carboxamide;molecular hydrogen?
The canonical SMILES for (3R,5R,6R)-N-[2-(dimethylamino)ethylcarbamoyl]-1,6-dimethyl-5-(2-oxopropyl)-N-(2-phenylethyl)piperidine-3-carboxamide;molecular hydrogen is CC(=O)C[C@H]1C[C@@H](C(=O)N(CCc2ccccc2)C(=O)NCCN(C)C)CN(C)[C@@H]1C.[H][H].
What is the InChIKey of (3R,5R,6R)-N-[2-(dimethylamino)ethylcarbamoyl]-1,6-dimethyl-5-(2-oxopropyl)-N-(2-phenylethyl)piperidine-3-carboxamide;molecular hydrogen?
The InChIKey is YUKLMHUHQZWAOZ-VZOQGOGTSA-N. The full InChI is InChI=1S/C24H38N4O3.H2/c1-18(29)15-21-16-22(17-27(5)19(21)2)23(30)28(24(31)25-12-14-26(3)4)13-11-20-9-7-6-8-10-20;/h6-10,19,21-22H,11-17H2,1-5H3,(H,25,31);1H/t19-,21+,22-;/m1./s1.
What are the key properties of (3R,5R,6R)-N-[2-(dimethylamino)ethylcarbamoyl]-1,6-dimethyl-5-(2-oxopropyl)-N-(2-phenylethyl)piperidine-3-carboxamide;molecular hydrogen?
(3R,5R,6R)-N-[2-(dimethylamino)ethylcarbamoyl]-1,6-dimethyl-5-(2-oxopropyl)-N-(2-phenylethyl)piperidine-3-carboxamide;molecular hydrogen has a molecular weight of 432.61 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,6R)-N-[2-(dimethylamino)ethylcarbamoyl]-1,6-dimethyl-5-(2-oxopropyl)-N-(2-phenylethyl)piperidine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 144670588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).