3-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide

C24H37N5O2 — CID 118297938

IUPAC3-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide
SMILESCN(C)C(=O)CC1(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)CN(C(=O)N(C)C)C1
InChIInChI=1S/C24H37N5O2/c1-26(2)22(30)15-24(16-28(17-24)23(31)27(3)4)29-12-10-19(11-13-29)25-21-14-20(21)18-8-6-5-7-9-18/h5-9,19-21,25H,10-17H2,1-4H3/t20?,21-/m1/s1
InChIKeyZKXDFFPSTBNTFS-BPGUCPLFSA-N
MW427.59 g/mol
LogP1.81
Rot. Bonds6

About 3-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide

3-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide (PubChem CID 118297938) has the molecular formula C24H37N5O2 and a molecular weight of 427.59 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide
PubChem CID118297938
Molecular FormulaC24H37N5O2
Molecular Weight427.59 g/mol
Exact Mass427.29
IUPAC Name3-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide
SMILESCN(C)C(=O)CC1(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)CN(C(=O)N(C)C)C1
InChIInChI=1S/C24H37N5O2/c1-26(2)22(30)15-24(16-28(17-24)23(31)27(3)4)29-12-10-19(11-13-29)25-21-14-20(21)18-8-6-5-7-9-18/h5-9,19-21,25H,10-17H2,1-4H3/t20?,21-/m1/s1
InChIKeyZKXDFFPSTBNTFS-BPGUCPLFSA-N
XLogP1.81
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide with MolForge

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Related Compounds

1-(trans-2-Phenylcyclopropyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49782571
US10285989, Example 40
CID 145996121
US10285989, Example 41
CID 145996122
US10285989, Example 174
CID 145996242
N~1~,N~1~-dimethyl-N~4~-[2-(4-methylphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 3240797
1-N,1-N-dimethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 4651693
4-{[1-(2,2-Diphenylethyl)-3-oxopiperazin-2-yl]acetyl}-3,3-dimethylpiperazin-2-one
CID 16191651
4-ethyl-N-((1R,2S)-2-phenylcyclopropyl)piperazine-1-carboxamide
CID 44418566
N-hexyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 56683492
1-tert-Butyl-3-[1-(cyclopentylcarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]urea
CID 66761545
US10285989, Example 35
CID 145996116
US10285989, Example 115
CID 145996194

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide?
The IUPAC name of 3-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide (CID 118297938) is 3-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide.
What is the SMILES notation for 3-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide?
The canonical SMILES for 3-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide is CN(C)C(=O)CC1(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)CN(C(=O)N(C)C)C1.
What is the InChIKey of 3-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide?
The InChIKey is ZKXDFFPSTBNTFS-BPGUCPLFSA-N. The full InChI is InChI=1S/C24H37N5O2/c1-26(2)22(30)15-24(16-28(17-24)23(31)27(3)4)29-12-10-19(11-13-29)25-21-14-20(21)18-8-6-5-7-9-18/h5-9,19-21,25H,10-17H2,1-4H3/t20?,21-/m1/s1.
What are the key properties of 3-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide?
3-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide has a molecular weight of 427.59 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide is sourced from PubChem (CID 118297938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).