2-methyl-N-[(3S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide

C23H39N5O2 — CID 164640397

IUPAC2-methyl-N-[(3S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
SMILESCc1cnn(CCC(=O)N2CCC[C@H](N(CCCN3CCCC3)C(=O)C(C)C)C2)c1
InChIInChI=1S/C23H39N5O2/c1-19(2)23(30)28(14-7-12-25-10-4-5-11-25)21-8-6-13-26(18-21)22(29)9-15-27-17-20(3)16-24-27/h16-17,19,21H,4-15,18H2,1-3H3/t21-/m0/s1
InChIKeySKMNQWCGICBNEI-NRFANRHFSA-N
MW417.60 g/mol
LogP2.54
Rot. Bonds9

About 2-methyl-N-[(3S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide

2-methyl-N-[(3S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 164640397) has the molecular formula C23H39N5O2 and a molecular weight of 417.60 g/mol. Its IUPAC name is 2-methyl-N-[(3S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-[(3S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
PubChem CID164640397
Molecular FormulaC23H39N5O2
Molecular Weight417.60 g/mol
Exact Mass417.31
IUPAC Name2-methyl-N-[(3S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
SMILESCc1cnn(CCC(=O)N2CCC[C@H](N(CCCN3CCCC3)C(=O)C(C)C)C2)c1
InChIInChI=1S/C23H39N5O2/c1-19(2)23(30)28(14-7-12-25-10-4-5-11-25)21-8-6-13-26(18-21)22(29)9-15-27-17-20(3)16-24-27/h16-17,19,21H,4-15,18H2,1-3H3/t21-/m0/s1
InChIKeySKMNQWCGICBNEI-NRFANRHFSA-N
XLogP2.54
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.60
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cycloheptyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24818933
2-Methyl-6-[3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 53564620
1-[3-[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 53569330
1-[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 53570840
1-[2-Oxo-2-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-2-one
CID 53604942
(1-Methylpyrrolidin-2-yl)-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53613893
N-(1-ethylpiperidin-4-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 53623783
N-(2-cyanoethyl)-N-methyl-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 53627184
3,3,3-Trifluoro-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 56779110
2-[Cyclopropyl(methyl)amino]-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 56780174
3-[Methyl(propyl)amino]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 56780181
2-[Cyclopropyl(methyl)amino]-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 56780194

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of 2-methyl-N-[(3S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide (CID 164640397) is 2-methyl-N-[(3S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for 2-methyl-N-[(3S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for 2-methyl-N-[(3S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide is Cc1cnn(CCC(=O)N2CCC[C@H](N(CCCN3CCCC3)C(=O)C(C)C)C2)c1.
What is the InChIKey of 2-methyl-N-[(3S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is SKMNQWCGICBNEI-NRFANRHFSA-N. The full InChI is InChI=1S/C23H39N5O2/c1-19(2)23(30)28(14-7-12-25-10-4-5-11-25)21-8-6-13-26(18-21)22(29)9-15-27-17-20(3)16-24-27/h16-17,19,21H,4-15,18H2,1-3H3/t21-/m0/s1.
What are the key properties of 2-methyl-N-[(3S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide?
2-methyl-N-[(3S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 417.60 g/mol, XLogP of 2.54, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S)-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 164640397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).