N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]propanamide

C26H34N4O3 — CID 26320267

IUPACN-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]propanamide
SMILESCOc1ncccc1C(=O)N1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C26H34N4O3/c1-33-25-23(8-5-14-27-25)26(32)30-16-11-20(12-17-30)9-10-24(31)28-22-13-15-29(19-22)18-21-6-3-2-4-7-21/h2-8,14,20,22H,9-13,15-19H2,1H3,(H,28,31)/t22-/m0/s1
InChIKeyCSXBRPAKZOQMLZ-QFIPXVFZSA-N
MW450.58 g/mol
LogP3.11
Rot. Bonds8

About N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]propanamide

N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]propanamide (PubChem CID 26320267) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]propanamide
PubChem CID26320267
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC NameN-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]propanamide
SMILESCOc1ncccc1C(=O)N1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C26H34N4O3/c1-33-25-23(8-5-14-27-25)26(32)30-16-11-20(12-17-30)9-10-24(31)28-22-13-15-29(19-22)18-21-6-3-2-4-7-21/h2-8,14,20,22H,9-13,15-19H2,1H3,(H,28,31)/t22-/m0/s1
InChIKeyCSXBRPAKZOQMLZ-QFIPXVFZSA-N
XLogP3.11
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide
CID 42377516
N-(1-benzylpyrrolidin-3-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propanamide
CID 45216855
N-(1-benzylpyrrolidin-3-yl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]propanamide
CID 72937332
N-(1-benzylpyrrolidin-3-yl)-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 72852322
N-[(3R)-1-benzylpyrrolidin-3-yl]-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 97270800
N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 136579147
3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 42101690
N-[(3R)-1-benzylpyrrolidin-3-yl]-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]propanamide
CID 42197580
[3-(2-chloroethyl)pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 114801254
3-[[(3S)-1-(2-methoxypyridine-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95727206
methyl 3-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]propanoate
CID 22678299
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]propanamide (CID 26320267) is N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]propanamide is COc1ncccc1C(=O)N1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1.
What is the InChIKey of N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is CSXBRPAKZOQMLZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-33-25-23(8-5-14-27-25)26(32)30-16-11-20(12-17-30)9-10-24(31)28-22-13-15-29(19-22)18-21-6-3-2-4-7-21/h2-8,14,20,22H,9-13,15-19H2,1H3,(H,28,31)/t22-/m0/s1.
What are the key properties of N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]propanamide?
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 450.58 g/mol, XLogP of 3.11, 8 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-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 26320267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).