N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide

C17H29N3OS — CID 120854150

IUPACN-[1-(2-amino-2-methylpropyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1cccs1)C1CCN(CC(C)(C)N)CC1
InChIInChI=1S/C17H29N3OS/c1-4-9-20(16(21)15-6-5-12-22-15)14-7-10-19(11-8-14)13-17(2,3)18/h5-6,12,14H,4,7-11,13,18H2,1-3H3
InChIKeyJTLFIIACVZOOKF-UHFFFAOYSA-N
MW323.51 g/mol
LogP2.80
Rot. Bonds6

About N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide

N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide (PubChem CID 120854150) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-methylpropyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
PubChem CID120854150
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC NameN-[1-(2-amino-2-methylpropyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1cccs1)C1CCN(CC(C)(C)N)CC1
InChIInChI=1S/C17H29N3OS/c1-4-9-20(16(21)15-6-5-12-22-15)14-7-10-19(11-8-14)13-17(2,3)18/h5-6,12,14H,4,7-11,13,18H2,1-3H3
InChIKeyJTLFIIACVZOOKF-UHFFFAOYSA-N
XLogP2.80
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-4-yl)-N-propylthiophene-2-carboxamide
CID 4231172
N-[1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 124626949
N-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 126801368
N-[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 137265056
N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 133421368
N-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 60733247
N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704675
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]thiophene-2-carboxamide
CID 7259974
N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 133386277
methyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate
CID 80709531
N-butylthiophene-2-carbohydrazide
CID 54350563
N-(4-aminophenyl)-N-propylthiophene-2-carboxamide
CID 63233977

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide?
The IUPAC name of N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide (CID 120854150) is N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide is CCCN(C(=O)c1cccs1)C1CCN(CC(C)(C)N)CC1.
What is the InChIKey of N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide?
The InChIKey is JTLFIIACVZOOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-4-9-20(16(21)15-6-5-12-22-15)14-7-10-19(11-8-14)13-17(2,3)18/h5-6,12,14H,4,7-11,13,18H2,1-3H3.
What are the key properties of N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide?
N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide has a molecular weight of 323.51 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 120854150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).