N-methylsulfonyl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanamide

C19H29N3O3S — CID 129279825

IUPACN-methylsulfonyl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanamide
SMILESCS(=O)(=O)NC(=O)CCCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C19H29N3O3S/c1-26(24,25)21-19(23)8-5-11-22-12-9-16(10-13-22)20-18-14-17(18)15-6-3-2-4-7-15/h2-4,6-7,16-18,20H,5,8-14H2,1H3,(H,21,23)/t17-,18+/m0/s1
InChIKeyFQLHGGBZXDAKKX-ZWKOTPCHSA-N
MW379.53 g/mol
LogP1.45
Rot. Bonds8

About N-methylsulfonyl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanamide

N-methylsulfonyl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanamide (PubChem CID 129279825) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-methylsulfonyl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanamide.

Molecular Properties

Compound NameN-methylsulfonyl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanamide
PubChem CID129279825
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-methylsulfonyl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanamide
SMILESCS(=O)(=O)NC(=O)CCCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C19H29N3O3S/c1-26(24,25)21-19(23)8-5-11-22-12-9-16(10-13-22)20-18-14-17(18)15-6-3-2-4-7-15/h2-4,6-7,16-18,20H,5,8-14H2,1H3,(H,21,23)/t17-,18+/m0/s1
InChIKeyFQLHGGBZXDAKKX-ZWKOTPCHSA-N
XLogP1.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylethyl)-1-(propylsulfonyl)piperidine-3-carboxamide
CID 4057576
1-(trans-2-Phenylcyclopropyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49782571
1-(butylsulfonyl)-N-(2-phenylethyl)-3-piperidinecarboxamide
CID 6473196
N-[3-(4-benzylpiperidin-1-yl)propyl]-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3240019
1-ethylsulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 4055939
N-[2-(3-methylphenyl)ethyl]-1-(propylsulfonyl)piperidine-3-carboxamide
CID 5051644
N-cyclopropyl-1-(4-methylbenzenesulfonyl)piperidine-4-carboxamide
CID 774645
N-benzyl-1-methanesulfonylpiperidine-4-carboxamide
CID 774756
N-[2-(4-methylphenyl)ethyl]-1-(methylsulfonyl)piperidine-3-carboxamide
CID 4985561
N-((4-fluoro-1-(methylsulfonyl) piperidin-4-yl)methyl)-trans-2-phenylcyclopropylamine
CID 130453455
1-Methanesulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
CID 774765
1-[(diethylamino)sulfonyl]-N-(1-methyl-3-phenylpropyl)piperidine-4-carboxamide
CID 3238320

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanamide?
The IUPAC name of N-methylsulfonyl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanamide (CID 129279825) is N-methylsulfonyl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanamide.
What is the SMILES notation for N-methylsulfonyl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanamide?
The canonical SMILES for N-methylsulfonyl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanamide is CS(=O)(=O)NC(=O)CCCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of N-methylsulfonyl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanamide?
The InChIKey is FQLHGGBZXDAKKX-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-26(24,25)21-19(23)8-5-11-22-12-9-16(10-13-22)20-18-14-17(18)15-6-3-2-4-7-15/h2-4,6-7,16-18,20H,5,8-14H2,1H3,(H,21,23)/t17-,18+/m0/s1.
What are the key properties of N-methylsulfonyl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanamide?
N-methylsulfonyl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanamide has a molecular weight of 379.53 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanamide is sourced from PubChem (CID 129279825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).