tert-butyl N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-piperidin-1-ylpropyl]carbamate

C21H34N4O4S — CID 175947517

IUPACtert-butyl N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-piperidin-1-ylpropyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CCN1CCCCC1)c1cc(NS(=O)(=O)C2CC2)ccn1
InChIInChI=1S/C21H34N4O4S/c1-21(2,3)29-20(26)23-18(10-14-25-12-5-4-6-13-25)19-15-16(9-11-22-19)24-30(27,28)17-7-8-17/h9,11,15,17-18H,4-8,10,12-14H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyCUPVLCNBIKSYRA-UHFFFAOYSA-N
MW438.59 g/mol
LogP3.43
Rot. Bonds8

About tert-butyl N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-piperidin-1-ylpropyl]carbamate

tert-butyl N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-piperidin-1-ylpropyl]carbamate (PubChem CID 175947517) has the molecular formula C21H34N4O4S and a molecular weight of 438.59 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-piperidin-1-ylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-piperidin-1-ylpropyl]carbamate
PubChem CID175947517
Molecular FormulaC21H34N4O4S
Molecular Weight438.59 g/mol
Exact Mass438.23
IUPAC Nametert-butyl N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-piperidin-1-ylpropyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CCN1CCCCC1)c1cc(NS(=O)(=O)C2CC2)ccn1
InChIInChI=1S/C21H34N4O4S/c1-21(2,3)29-20(26)23-18(10-14-25-12-5-4-6-13-25)19-15-16(9-11-22-19)24-30(27,28)17-7-8-17/h9,11,15,17-18H,4-8,10,12-14H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyCUPVLCNBIKSYRA-UHFFFAOYSA-N
XLogP3.43
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-piperidin-1-ylpropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-piperidin-1-ylpropyl]carbamate (CID 175947517) is tert-butyl N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-piperidin-1-ylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-piperidin-1-ylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-piperidin-1-ylpropyl]carbamate is CC(C)(C)OC(=O)NC(CCN1CCCCC1)c1cc(NS(=O)(=O)C2CC2)ccn1.
What is the InChIKey of tert-butyl N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-piperidin-1-ylpropyl]carbamate?
The InChIKey is CUPVLCNBIKSYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O4S/c1-21(2,3)29-20(26)23-18(10-14-25-12-5-4-6-13-25)19-15-16(9-11-22-19)24-30(27,28)17-7-8-17/h9,11,15,17-18H,4-8,10,12-14H2,1-3H3,(H,22,24)(H,23,26).
What are the key properties of tert-butyl N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-piperidin-1-ylpropyl]carbamate?
tert-butyl N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-piperidin-1-ylpropyl]carbamate has a molecular weight of 438.59 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-piperidin-1-ylpropyl]carbamate is sourced from PubChem (CID 175947517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).