N-tert-butylsulfonyl-4-[[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]methyl]benzamide

C26H35N3O3S — CID 129098249

IUPACN-tert-butylsulfonyl-4-[[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]methyl]benzamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1ccc(CN2CCC(NC3CC3c3ccccc3)CC2)cc1
InChIInChI=1S/C26H35N3O3S/c1-26(2,3)33(31,32)28-25(30)21-11-9-19(10-12-21)18-29-15-13-22(14-16-29)27-24-17-23(24)20-7-5-4-6-8-20/h4-12,22-24,27H,13-18H2,1-3H3,(H,28,30)
InChIKeyAUMNDYYNNGHQNU-UHFFFAOYSA-N
MW469.65 g/mol
LogP3.65
Rot. Bonds7

About N-tert-butylsulfonyl-4-[[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]methyl]benzamide

N-tert-butylsulfonyl-4-[[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]methyl]benzamide (PubChem CID 129098249) has the molecular formula C26H35N3O3S and a molecular weight of 469.65 g/mol. Its IUPAC name is N-tert-butylsulfonyl-4-[[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-tert-butylsulfonyl-4-[[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]methyl]benzamide
PubChem CID129098249
Molecular FormulaC26H35N3O3S
Molecular Weight469.65 g/mol
Exact Mass469.24
IUPAC NameN-tert-butylsulfonyl-4-[[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]methyl]benzamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1ccc(CN2CCC(NC3CC3c3ccccc3)CC2)cc1
InChIInChI=1S/C26H35N3O3S/c1-26(2,3)33(31,32)28-25(30)21-11-9-19(10-12-21)18-29-15-13-22(14-16-29)27-24-17-23(24)20-7-5-4-6-8-20/h4-12,22-24,27H,13-18H2,1-3H3,(H,28,30)
InChIKeyAUMNDYYNNGHQNU-UHFFFAOYSA-N
XLogP3.65
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.65
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethylsulfonyl-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide
CID 129098117
N-cyclopropylsulfonyl-2-[4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]phenyl]acetamide
CID 129098167
N-[4-[2-[(1-benzylpiperidin-4-yl)amino]cyclopropyl]phenyl]benzamide
CID 71260436
N-(1-oxo-3-phenylpropan-2-yl)-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide
CID 129121740
(E)-3-[4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]phenyl]-N-(phosphanylmethylsulfonyl)prop-2-enamide
CID 129121949
N-(1,2-dioxohexan-3-yl)-4-[[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]methyl]benzamide
CID 129121769
N-hydroxy-4-[(4-phenylpiperidin-1-yl)methyl]benzamide
CID 163366143
2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanol
CID 129279856
1-benzyl-N-(2-methylcyclopropyl)piperidin-4-amine
CID 62396493
4-[[4-[[2-[(E)-3-methyl-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]methyl]benzoic acid
CID 122641282
4-[[3-[[(2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzamide
CID 163704417
4-[[4-[[[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid
CID 66571592

Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonyl-4-[[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]methyl]benzamide?
The IUPAC name of N-tert-butylsulfonyl-4-[[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]methyl]benzamide (CID 129098249) is N-tert-butylsulfonyl-4-[[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-tert-butylsulfonyl-4-[[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]methyl]benzamide?
The canonical SMILES for N-tert-butylsulfonyl-4-[[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]methyl]benzamide is CC(C)(C)S(=O)(=O)NC(=O)c1ccc(CN2CCC(NC3CC3c3ccccc3)CC2)cc1.
What is the InChIKey of N-tert-butylsulfonyl-4-[[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]methyl]benzamide?
The InChIKey is AUMNDYYNNGHQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3S/c1-26(2,3)33(31,32)28-25(30)21-11-9-19(10-12-21)18-29-15-13-22(14-16-29)27-24-17-23(24)20-7-5-4-6-8-20/h4-12,22-24,27H,13-18H2,1-3H3,(H,28,30).
What are the key properties of N-tert-butylsulfonyl-4-[[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]methyl]benzamide?
N-tert-butylsulfonyl-4-[[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]methyl]benzamide has a molecular weight of 469.65 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfonyl-4-[[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 129098249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).