N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

C20H36N4O3 — CID 52608858

IUPACN-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCC(C)[C@H](CNC(=O)C1CCN(C(=O)N2CCCC2)CC1)N1CCOCC1
InChIInChI=1S/C20H36N4O3/c1-16(2)18(22-11-13-27-14-12-22)15-21-19(25)17-5-9-24(10-6-17)20(26)23-7-3-4-8-23/h16-18H,3-15H2,1-2H3,(H,21,25)/t18-/m0/s1
InChIKeyJEXPVSGEHSGBHW-SFHVURJKSA-N
MW380.53 g/mol
LogP1.39
Rot. Bonds5

About N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 52608858) has the molecular formula C20H36N4O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
PubChem CID52608858
Molecular FormulaC20H36N4O3
Molecular Weight380.53 g/mol
Exact Mass380.28
IUPAC NameN-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCC(C)[C@H](CNC(=O)C1CCN(C(=O)N2CCCC2)CC1)N1CCOCC1
InChIInChI=1S/C20H36N4O3/c1-16(2)18(22-11-13-27-14-12-22)15-21-19(25)17-5-9-24(10-6-17)20(26)23-7-3-4-8-23/h16-18H,3-15H2,1-2H3,(H,21,25)/t18-/m0/s1
InChIKeyJEXPVSGEHSGBHW-SFHVURJKSA-N
XLogP1.39
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-3-carboxamide
CID 119841324
4-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55646355
N-(3-methyl-2-piperidin-1-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110402891
(2S,4S)-2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120632113
methyl 1-[N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111255294
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55713124
N-(3-methyl-2-morpholin-4-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55526700
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide
CID 60763644
N-(3-methyl-2-morpholin-4-ylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 134055842
N-(3-methyl-2-morpholin-4-ylbutyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 43043566
4-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclohexane-1-carboxamide
CID 79519601
2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111930476

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (CID 52608858) is N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is CC(C)[C@H](CNC(=O)C1CCN(C(=O)N2CCCC2)CC1)N1CCOCC1.
What is the InChIKey of N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is JEXPVSGEHSGBHW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H36N4O3/c1-16(2)18(22-11-13-27-14-12-22)15-21-19(25)17-5-9-24(10-6-17)20(26)23-7-3-4-8-23/h16-18H,3-15H2,1-2H3,(H,21,25)/t18-/m0/s1.
What are the key properties of N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 380.53 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 52608858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).