N-(3-morpholin-4-ylpropyl)-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride

C17H28ClN3O2S — CID 146065216

IUPACN-(3-morpholin-4-ylpropyl)-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(c1cccs1)N(CCCN1CCOCC1)C1CCCNC1
InChIInChI=1S/C17H27N3O2S.ClH/c21-17(16-5-2-13-23-16)20(15-4-1-6-18-14-15)8-3-7-19-9-11-22-12-10-19;/h2,5,13,15,18H,1,3-4,6-12,14H2;1H
InChIKeyPCHQGLUSWGQDTP-UHFFFAOYSA-N
MW373.95 g/mol
LogP2.09
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride

N-(3-morpholin-4-ylpropyl)-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride (PubChem CID 146065216) has the molecular formula C17H28ClN3O2S and a molecular weight of 373.95 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
PubChem CID146065216
Molecular FormulaC17H28ClN3O2S
Molecular Weight373.95 g/mol
Exact Mass373.16
IUPAC NameN-(3-morpholin-4-ylpropyl)-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(c1cccs1)N(CCCN1CCOCC1)C1CCCNC1
InChIInChI=1S/C17H27N3O2S.ClH/c21-17(16-5-2-13-23-16)20(15-4-1-6-18-14-15)8-3-7-19-9-11-22-12-10-19;/h2,5,13,15,18H,1,3-4,6-12,14H2;1H
InChIKeyPCHQGLUSWGQDTP-UHFFFAOYSA-N
XLogP2.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.95
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride (CID 146065216) is N-(3-morpholin-4-ylpropyl)-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride is Cl.O=C(c1cccs1)N(CCCN1CCOCC1)C1CCCNC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride?
The InChIKey is PCHQGLUSWGQDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S.ClH/c21-17(16-5-2-13-23-16)20(15-4-1-6-18-14-15)8-3-7-19-9-11-22-12-10-19;/h2,5,13,15,18H,1,3-4,6-12,14H2;1H.
What are the key properties of N-(3-morpholin-4-ylpropyl)-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride?
N-(3-morpholin-4-ylpropyl)-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride has a molecular weight of 373.95 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 146065216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).