N-cycloheptyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide

C22H33N5O3S — CID 53077600

IUPACN-cycloheptyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
SMILESO=C(CCCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21)NC1CCCCCC1
InChIInChI=1S/C22H33N5O3S/c28-22(23-18-9-4-1-2-5-10-18)11-8-16-27-21-13-12-19(17-20(21)24-25-27)31(29,30)26-14-6-3-7-15-26/h12-13,17-18H,1-11,14-16H2,(H,23,28)
InChIKeyPDANSRUJMCOMIH-UHFFFAOYSA-N
MW447.61 g/mol
LogP3.23
Rot. Bonds7

About N-cycloheptyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide

N-cycloheptyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide (PubChem CID 53077600) has the molecular formula C22H33N5O3S and a molecular weight of 447.61 g/mol. Its IUPAC name is N-cycloheptyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
PubChem CID53077600
Molecular FormulaC22H33N5O3S
Molecular Weight447.61 g/mol
Exact Mass447.23
IUPAC NameN-cycloheptyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
SMILESO=C(CCCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21)NC1CCCCCC1
InChIInChI=1S/C22H33N5O3S/c28-22(23-18-9-4-1-2-5-10-18)11-8-16-27-21-13-12-19(17-20(21)24-25-27)31(29,30)26-14-6-3-7-15-26/h12-13,17-18H,1-11,14-16H2,(H,23,28)
InChIKeyPDANSRUJMCOMIH-UHFFFAOYSA-N
XLogP3.23
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.61
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077659
1-(azepan-1-yl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butan-1-one
CID 53077613
N-propyl-4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077547
N-[2-(dimethylamino)ethyl]-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077605
N-[[(2R)-oxolan-2-yl]methyl]-4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 97043853
N-(1-benzylpiperidin-4-yl)-3-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064359
1-(4-methylpiperidin-1-yl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butan-1-one
CID 53028639
N-(4-ethylphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077608
N-naphthalen-2-yl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53084977
(3S)-N-cyclohexyl-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92871219
N-(3-chloro-4-methoxyphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077654
N-[2-(cyclohexen-1-yl)ethyl]-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077652

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide?
The IUPAC name of N-cycloheptyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide (CID 53077600) is N-cycloheptyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide.
What is the SMILES notation for N-cycloheptyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide?
The canonical SMILES for N-cycloheptyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide is O=C(CCCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide?
The InChIKey is PDANSRUJMCOMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3S/c28-22(23-18-9-4-1-2-5-10-18)11-8-16-27-21-13-12-19(17-20(21)24-25-27)31(29,30)26-14-6-3-7-15-26/h12-13,17-18H,1-11,14-16H2,(H,23,28).
What are the key properties of N-cycloheptyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide?
N-cycloheptyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide has a molecular weight of 447.61 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide is sourced from PubChem (CID 53077600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).