N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide

C23H39N5O4 — CID 23790413

IUPACN-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(C)C(=O)N(CCN1CCOCC1)C1CC(C(=O)N2CCNCC2)N(C(=O)C2CC2)C1
InChIInChI=1S/C23H39N5O4/c1-17(2)21(29)27(10-9-25-11-13-32-14-12-25)19-15-20(23(31)26-7-5-24-6-8-26)28(16-19)22(30)18-3-4-18/h17-20,24H,3-16H2,1-2H3
InChIKeySPBSNJSKHNAHNI-UHFFFAOYSA-N
MW449.60 g/mol
LogP-0.39
Rot. Bonds7

About N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide

N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 23790413) has the molecular formula C23H39N5O4 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID23790413
Molecular FormulaC23H39N5O4
Molecular Weight449.60 g/mol
Exact Mass449.30
IUPAC NameN-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(C)C(=O)N(CCN1CCOCC1)C1CC(C(=O)N2CCNCC2)N(C(=O)C2CC2)C1
InChIInChI=1S/C23H39N5O4/c1-17(2)21(29)27(10-9-25-11-13-32-14-12-25)19-15-20(23(31)26-7-5-24-6-8-26)28(16-19)22(30)18-3-4-18/h17-20,24H,3-16H2,1-2H3
InChIKeySPBSNJSKHNAHNI-UHFFFAOYSA-N
XLogP-0.39
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Piperazine, 1-(4-morpholinylacetyl)-4-((5-oxo-2-pyrrolidinyl)carbonyl)-
CID 3066696
(2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
CID 75411467
1-[(4R,7S,8aS)-4-(3-morpholin-4-yl-3-oxopropyl)-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-propan-2-ylurea
CID 26762675
(2S,5aS,8aR)-1-methyl-6-(1-methylpiperidin-4-yl)-2-(3-morpholin-4-yl-3-oxopropyl)-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-5-one
CID 45361074
2-Methyl-N-(3-methylbutyl)-1-[3-(morpholin-4-YL)propyl]-5-oxopyrrolidine-2-carboxamide
CID 46247124
(2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 75529695
(2S,4S)-4-amino-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide
CID 56707334
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 71912127
4-[(N-acetylprolyl)leucyl]morpholine
CID 145997598
(2S)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 97092840
(2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 97092842
(2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 100879294

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide (CID 23790413) is N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide is CC(C)C(=O)N(CCN1CCOCC1)C1CC(C(=O)N2CCNCC2)N(C(=O)C2CC2)C1.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is SPBSNJSKHNAHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O4/c1-17(2)21(29)27(10-9-25-11-13-32-14-12-25)19-15-20(23(31)26-7-5-24-6-8-26)28(16-19)22(30)18-3-4-18/h17-20,24H,3-16H2,1-2H3.
What are the key properties of N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 449.60 g/mol, XLogP of -0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 23790413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).