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

C23H35N5O2 — CID 118297907

IUPACN,N-dimethyl-3-[2-(methylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide
SMILESCNC(=O)CC1(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)CN(C(=O)N(C)C)C1
InChIInChI=1S/C23H35N5O2/c1-24-21(29)14-23(15-27(16-23)22(30)26(2)3)28-11-9-18(10-12-28)25-20-13-19(20)17-7-5-4-6-8-17/h4-8,18-20,25H,9-16H2,1-3H3,(H,24,29)/t19?,20-/m1/s1
InChIKeyNNGVVKXEUSNXHF-GFOWMXPYSA-N
MW413.57 g/mol
LogP1.47
Rot. Bonds6

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

N,N-dimethyl-3-[2-(methylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide (PubChem CID 118297907) has the molecular formula C23H35N5O2 and a molecular weight of 413.57 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(methylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(methylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide
PubChem CID118297907
Molecular FormulaC23H35N5O2
Molecular Weight413.57 g/mol
Exact Mass413.28
IUPAC NameN,N-dimethyl-3-[2-(methylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide
SMILESCNC(=O)CC1(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)CN(C(=O)N(C)C)C1
InChIInChI=1S/C23H35N5O2/c1-24-21(29)14-23(15-27(16-23)22(30)26(2)3)28-11-9-18(10-12-28)25-20-13-19(20)17-7-5-4-6-8-17/h4-8,18-20,25H,9-16H2,1-3H3,(H,24,29)/t19?,20-/m1/s1
InChIKeyNNGVVKXEUSNXHF-GFOWMXPYSA-N
XLogP1.47
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-3-[2-(methylamino)-2-oxoethyl]-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 N,N-dimethyl-3-[2-(methylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-3-[2-(methylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide (CID 118297907) is N,N-dimethyl-3-[2-(methylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[2-(methylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[2-(methylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide is CNC(=O)CC1(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)CN(C(=O)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-3-[2-(methylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide?
The InChIKey is NNGVVKXEUSNXHF-GFOWMXPYSA-N. The full InChI is InChI=1S/C23H35N5O2/c1-24-21(29)14-23(15-27(16-23)22(30)26(2)3)28-11-9-18(10-12-28)25-20-13-19(20)17-7-5-4-6-8-17/h4-8,18-20,25H,9-16H2,1-3H3,(H,24,29)/t19?,20-/m1/s1.
What are the key properties of N,N-dimethyl-3-[2-(methylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide?
N,N-dimethyl-3-[2-(methylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide has a molecular weight of 413.57 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(methylamino)-2-oxoethyl]-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidine-1-carboxamide is sourced from PubChem (CID 118297907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).