4-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylbenzamide

C21H33N3O — CID 176748270

IUPAC4-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCC(C(C)(C)C)C3)CC2)cc1
InChIInChI=1S/C21H33N3O/c1-21(2,3)17-9-12-24(15-17)19-10-13-23(14-11-19)18-7-5-16(6-8-18)20(25)22-4/h5-8,17,19H,9-15H2,1-4H3,(H,22,25)
InChIKeyCPMTVFQVCMMPKB-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.38
Rot. Bonds3

About 4-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylbenzamide

4-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylbenzamide (PubChem CID 176748270) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is 4-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylbenzamide
PubChem CID176748270
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name4-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N2CCC(N3CCC(C(C)(C)C)C3)CC2)cc1
InChIInChI=1S/C21H33N3O/c1-21(2,3)17-9-12-24(15-17)19-10-13-23(14-11-19)18-7-5-16(6-8-18)20(25)22-4/h5-8,17,19H,9-15H2,1-4H3,(H,22,25)
InChIKeyCPMTVFQVCMMPKB-UHFFFAOYSA-N
XLogP3.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide
CID 176748307
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide
CID 176748212
5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748280
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide
CID 176748271
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N,4-dimethylpyrimidine-2-carboxamide
CID 176748256
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 176748242
5-[4-(3-tert-butylpiperidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide
CID 176748297
1-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]ethanone
CID 2846303
4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylaniline
CID 169149133
5-[4-[3-(2,2-dimethylpropyl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748206
4-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N-methylbenzamide
CID 177042401
1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 143437550

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylbenzamide?
The IUPAC name of 4-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylbenzamide (CID 176748270) is 4-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylbenzamide?
The canonical SMILES for 4-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylbenzamide is CNC(=O)c1ccc(N2CCC(N3CCC(C(C)(C)C)C3)CC2)cc1.
What is the InChIKey of 4-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylbenzamide?
The InChIKey is CPMTVFQVCMMPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-21(2,3)17-9-12-24(15-17)19-10-13-23(14-11-19)18-7-5-16(6-8-18)20(25)22-4/h5-8,17,19H,9-15H2,1-4H3,(H,22,25).
What are the key properties of 4-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylbenzamide?
4-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylbenzamide has a molecular weight of 343.51 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylbenzamide is sourced from PubChem (CID 176748270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).