N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide

C24H32N4O3 — CID 42377516

IUPACN-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide
SMILESCc1ncoc1C(=O)N1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C24H32N4O3/c1-18-23(31-17-25-18)24(30)28-13-9-19(10-14-28)7-8-22(29)26-21-11-12-27(16-21)15-20-5-3-2-4-6-20/h2-6,17,19,21H,7-16H2,1H3,(H,26,29)/t21-/m0/s1
InChIKeyCNWZWLDSRJOOIX-NRFANRHFSA-N
MW424.55 g/mol
LogP3.01
Rot. Bonds7

About N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide

N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide (PubChem CID 42377516) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide
PubChem CID42377516
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide
SMILESCc1ncoc1C(=O)N1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C24H32N4O3/c1-18-23(31-17-25-18)24(30)28-13-9-19(10-14-28)7-8-22(29)26-21-11-12-27(16-21)15-20-5-3-2-4-6-20/h2-6,17,19,21H,7-16H2,1H3,(H,26,29)/t21-/m0/s1
InChIKeyCNWZWLDSRJOOIX-NRFANRHFSA-N
XLogP3.01
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(1-benzylpyrrolidin-3-yl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]propanamide
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N-(1-benzylpyrrolidin-3-yl)-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide
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N-[(3R)-1-benzylpyrrolidin-3-yl]-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide
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CID 42197580
[4-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
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CID 51947538
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide (CID 42377516) is N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide is Cc1ncoc1C(=O)N1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1.
What is the InChIKey of N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is CNWZWLDSRJOOIX-NRFANRHFSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-18-23(31-17-25-18)24(30)28-13-9-19(10-14-28)7-8-22(29)26-21-11-12-27(16-21)15-20-5-3-2-4-6-20/h2-6,17,19,21H,7-16H2,1H3,(H,26,29)/t21-/m0/s1.
What are the key properties of N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide?
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 424.55 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 42377516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).