N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide

C22H36N4O4 — CID 23876988

IUPACN-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C)C(=O)N(CC1CCCO1)C1CC(C(=O)N2CCNCC2)N(C(=O)C2CC2)C1
InChIInChI=1S/C22H36N4O4/c1-15(2)20(27)25(14-18-4-3-11-30-18)17-12-19(22(29)24-9-7-23-8-10-24)26(13-17)21(28)16-5-6-16/h15-19,23H,3-14H2,1-2H3
InChIKeyHCTSLRHLIHZZJY-UHFFFAOYSA-N
MW420.55 g/mol
LogP0.46
Rot. Bonds6

About N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide

N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 23876988) has the molecular formula C22H36N4O4 and a molecular weight of 420.55 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide
PubChem CID23876988
Molecular FormulaC22H36N4O4
Molecular Weight420.55 g/mol
Exact Mass420.27
IUPAC NameN-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C)C(=O)N(CC1CCCO1)C1CC(C(=O)N2CCNCC2)N(C(=O)C2CC2)C1
InChIInChI=1S/C22H36N4O4/c1-15(2)20(27)25(14-18-4-3-11-30-18)17-12-19(22(29)24-9-7-23-8-10-24)26(13-17)21(28)16-5-6-16/h15-19,23H,3-14H2,1-2H3
InChIKeyHCTSLRHLIHZZJY-UHFFFAOYSA-N
XLogP0.46
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorobenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 23795706
4-methoxy-N-[1-(3-methoxybenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 23876587
[1-(4-methylbenzoyl)-4-[(2-methylphenyl)methyl-(oxolan-2-ylmethyl)amino]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 23765977
N-[5-(1,4-diazepane-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 23911294
2-[methyl(oxolan-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 61432130
N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 61243218
N-ethyl-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylpropanamide
CID 61435034
N-cyclopropyl-N-[5-(1,4-diazepane-1-carbonyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 23962906
N-cyclopentyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 119336156
(2R)-N,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbutanamide
CID 95347844
4-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)pentanamide;hydrochloride
CID 120563456
2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 61174938

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide (CID 23876988) is N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide is CC(C)C(=O)N(CC1CCCO1)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-(oxolan-2-ylmethyl)propanamide?
The InChIKey is HCTSLRHLIHZZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O4/c1-15(2)20(27)25(14-18-4-3-11-30-18)17-12-19(22(29)24-9-7-23-8-10-24)26(13-17)21(28)16-5-6-16/h15-19,23H,3-14H2,1-2H3.
What are the key properties of N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide?
N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 420.55 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 23876988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).