N-cyclopropyl-N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methylpropanamide

C19H32N4O4 — CID 23824730

IUPACN-cyclopropyl-N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methylpropanamide
SMILESCOCC(=O)N1CC(N(C(=O)C(C)C)C2CC2)CC1C(=O)N1CCNCC1
InChIInChI=1S/C19H32N4O4/c1-13(2)18(25)23(14-4-5-14)15-10-16(22(11-15)17(24)12-27-3)19(26)21-8-6-20-7-9-21/h13-16,20H,4-12H2,1-3H3
InChIKeyCNUZHAYSHRDPNL-UHFFFAOYSA-N
MW380.49 g/mol
LogP-0.32
Rot. Bonds6

About N-cyclopropyl-N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methylpropanamide

N-cyclopropyl-N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methylpropanamide (PubChem CID 23824730) has the molecular formula C19H32N4O4 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methylpropanamide
PubChem CID23824730
Molecular FormulaC19H32N4O4
Molecular Weight380.49 g/mol
Exact Mass380.24
IUPAC NameN-cyclopropyl-N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methylpropanamide
SMILESCOCC(=O)N1CC(N(C(=O)C(C)C)C2CC2)CC1C(=O)N1CCNCC1
InChIInChI=1S/C19H32N4O4/c1-13(2)18(25)23(14-4-5-14)15-10-16(22(11-15)17(24)12-27-3)19(26)21-8-6-20-7-9-21/h13-16,20H,4-12H2,1-3H3
InChIKeyCNUZHAYSHRDPNL-UHFFFAOYSA-N
XLogP-0.32
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-cyclopropylpropanamide
CID 26762722
(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
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
N-[2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide
CID 46032231
N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbutanamide
CID 46032268
(2S)-1-[(2S)-2-[[2-[2-[2-[[2-[bis[2-(methylamino)ethyl]amino]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-4-methylpentanoyl]-N-methylpyrrolidine-2-carboxamide
CID 58583174
N-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrrolidine-2-carboxamide
CID 68845927
N-[1-(2-methoxyacetyl)piperidin-3-yl]pyrrolidine-2-carboxamide
CID 68845929
1-(2-methoxyethyl)-N-piperidin-4-yl-N-propylpyrrolidine-2-carboxamide
CID 71024381
(2S)-N-[1-(2-methoxyacetyl)piperidin-3-yl]pyrrolidine-2-carboxamide
CID 71133178
2-[[(3S)-1-[(2S,3S)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]amino]acetamide
CID 90965273

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-cyclopropyl-N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methylpropanamide (CID 23824730) is N-cyclopropyl-N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-cyclopropyl-N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-cyclopropyl-N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methylpropanamide is COCC(=O)N1CC(N(C(=O)C(C)C)C2CC2)CC1C(=O)N1CCNCC1.
What is the InChIKey of N-cyclopropyl-N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methylpropanamide?
The InChIKey is CNUZHAYSHRDPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4/c1-13(2)18(25)23(14-4-5-14)15-10-16(22(11-15)17(24)12-27-3)19(26)21-8-6-20-7-9-21/h13-16,20H,4-12H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methylpropanamide?
N-cyclopropyl-N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methylpropanamide has a molecular weight of 380.49 g/mol, XLogP of -0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 23824730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).