N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide

C24H43N5O5 — CID 23732919

IUPACN-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
SMILESCOCC(=O)N1CC(N(CCN2CCOCC2)C(=O)CC(C)(C)C)CC1C(=O)N1CCNCC1
InChIInChI=1S/C24H43N5O5/c1-24(2,3)16-21(30)28(10-9-26-11-13-34-14-12-26)19-15-20(29(17-19)22(31)18-33-4)23(32)27-7-5-25-6-8-27/h19-20,25H,5-18H2,1-4H3
InChIKeyPQYCSVRFFQVIKZ-UHFFFAOYSA-N
MW481.64 g/mol
LogP-0.37
Rot. Bonds8

About N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide

N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide (PubChem CID 23732919) has the molecular formula C24H43N5O5 and a molecular weight of 481.64 g/mol. Its IUPAC name is N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide.

Molecular Properties

Compound NameN-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
PubChem CID23732919
Molecular FormulaC24H43N5O5
Molecular Weight481.64 g/mol
Exact Mass481.33
IUPAC NameN-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
SMILESCOCC(=O)N1CC(N(CCN2CCOCC2)C(=O)CC(C)(C)C)CC1C(=O)N1CCNCC1
InChIInChI=1S/C24H43N5O5/c1-24(2,3)16-21(30)28(10-9-26-11-13-34-14-12-26)19-15-20(29(17-19)22(31)18-33-4)23(32)27-7-5-25-6-8-27/h19-20,25H,5-18H2,1-4H3
InChIKeyPQYCSVRFFQVIKZ-UHFFFAOYSA-N
XLogP-0.37
TPSA94.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.64
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Piperazine, 1-(4-morpholinylacetyl)-4-((5-oxo-2-pyrrolidinyl)carbonyl)-
CID 3066696
2-butoxy-N-[(3S)-1-(2-morpholin-4-ylethyl)-2-oxopiperidin-3-yl]acetamide
CID 97347967
(15S,16R)-16-[(4,4-difluorocyclohexyl)amino]-4-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-7,10-dioxa-1,4,13-triazabicyclo[13.3.0]octadecane-2,5,14-trione
CID 146116439
(1R,13S,19R)-13-[(4,4-difluorocyclohexyl)amino]-20-(3,3-dimethylbutanoyl)-5,8-dioxa-2,11,17,20-tetrazabicyclo[17.2.1]docosane-3,12,18-trione
CID 146116922
(1S,19S)-13-[(4,4-difluorocyclohexyl)amino]-20-(3,3-dimethylbutanoyl)-5,8-dioxa-2,11,17,20-tetrazabicyclo[17.2.1]docosane-3,12,18-trione
CID 177677596
(2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 9423832
3-[(4R,7S,8aS)-7-[(2-methoxyacetyl)amino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-propan-2-ylpropanamide
CID 26762041
5-[[4-[2-(4-Morpholinyl)-2-oxoethyl]-1-piperazinyl]carbonyl]-2-pyrrolidinone
CID 14053694
(5R)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053695
(5R)-5-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053699
5-[4-(3-Morpholin-4-yl-3-oxopropyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053759
5-[4-(3-Morpholin-4-ylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053764

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide?
The IUPAC name of N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide (CID 23732919) is N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide.
What is the SMILES notation for N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide?
The canonical SMILES for N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide is COCC(=O)N1CC(N(CCN2CCOCC2)C(=O)CC(C)(C)C)CC1C(=O)N1CCNCC1.
What is the InChIKey of N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide?
The InChIKey is PQYCSVRFFQVIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N5O5/c1-24(2,3)16-21(30)28(10-9-26-11-13-34-14-12-26)19-15-20(29(17-19)22(31)18-33-4)23(32)27-7-5-25-6-8-27/h19-20,25H,5-18H2,1-4H3.
What are the key properties of N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide?
N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide has a molecular weight of 481.64 g/mol, XLogP of -0.37, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide is sourced from PubChem (CID 23732919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).