N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide

C17H29N5O3S — CID 56829180

IUPACN-[1-(cyclopentylmethyl)piperidin-4-yl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide
SMILESCn1cc(S(=O)(=O)NCC(=O)NC2CCN(CC3CCCC3)CC2)cn1
InChIInChI=1S/C17H29N5O3S/c1-21-13-16(10-18-21)26(24,25)19-11-17(23)20-15-6-8-22(9-7-15)12-14-4-2-3-5-14/h10,13-15,19H,2-9,11-12H2,1H3,(H,20,23)
InChIKeyUBBNIISYKULUCO-UHFFFAOYSA-N
MW383.52 g/mol
LogP0.47
Rot. Bonds7

About N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide

N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide (PubChem CID 56829180) has the molecular formula C17H29N5O3S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[1-(cyclopentylmethyl)piperidin-4-yl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide
PubChem CID56829180
Molecular FormulaC17H29N5O3S
Molecular Weight383.52 g/mol
Exact Mass383.20
IUPAC NameN-[1-(cyclopentylmethyl)piperidin-4-yl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide
SMILESCn1cc(S(=O)(=O)NCC(=O)NC2CCN(CC3CCCC3)CC2)cn1
InChIInChI=1S/C17H29N5O3S/c1-21-13-16(10-18-21)26(24,25)19-11-17(23)20-15-6-8-22(9-7-15)12-14-4-2-3-5-14/h10,13-15,19H,2-9,11-12H2,1H3,(H,20,23)
InChIKeyUBBNIISYKULUCO-UHFFFAOYSA-N
XLogP0.47
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide?
The IUPAC name of N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide (CID 56829180) is N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide?
The canonical SMILES for N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide is Cn1cc(S(=O)(=O)NCC(=O)NC2CCN(CC3CCCC3)CC2)cn1.
What is the InChIKey of N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide?
The InChIKey is UBBNIISYKULUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3S/c1-21-13-16(10-18-21)26(24,25)19-11-17(23)20-15-6-8-22(9-7-15)12-14-4-2-3-5-14/h10,13-15,19H,2-9,11-12H2,1H3,(H,20,23).
What are the key properties of N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide?
N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide has a molecular weight of 383.52 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide is sourced from PubChem (CID 56829180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).