N-[[(3S,4R)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide

C18H29N3OS — CID 91920928

IUPACN-[[(3S,4R)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESCc1ccc(CN2CC[C@H](CNC(=O)C3CC3)[C@H](N(C)C)C2)s1
InChIInChI=1S/C18H29N3OS/c1-13-4-7-16(23-13)11-21-9-8-15(17(12-21)20(2)3)10-19-18(22)14-5-6-14/h4,7,14-15,17H,5-6,8-12H2,1-3H3,(H,19,22)/t15-,17-/m1/s1
InChIKeyKTIKOUITCBOVNB-NVXWUHKLSA-N
MW335.52 g/mol
LogP2.33
Rot. Bonds6

About N-[[(3S,4R)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide

N-[[(3S,4R)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 91920928) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is N-[[(3S,4R)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(3S,4R)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide
PubChem CID91920928
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC NameN-[[(3S,4R)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESCc1ccc(CN2CC[C@H](CNC(=O)C3CC3)[C@H](N(C)C)C2)s1
InChIInChI=1S/C18H29N3OS/c1-13-4-7-16(23-13)11-21-9-8-15(17(12-21)20(2)3)10-19-18(22)14-5-6-14/h4,7,14-15,17H,5-6,8-12H2,1-3H3,(H,19,22)/t15-,17-/m1/s1
InChIKeyKTIKOUITCBOVNB-NVXWUHKLSA-N
XLogP2.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3S,4R)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(3S,4R)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide (CID 91920928) is N-[[(3S,4R)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(3S,4R)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(3S,4R)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide is Cc1ccc(CN2CC[C@H](CNC(=O)C3CC3)[C@H](N(C)C)C2)s1.
What is the InChIKey of N-[[(3S,4R)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is KTIKOUITCBOVNB-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-13-4-7-16(23-13)11-21-9-8-15(17(12-21)20(2)3)10-19-18(22)14-5-6-14/h4,7,14-15,17H,5-6,8-12H2,1-3H3,(H,19,22)/t15-,17-/m1/s1.
What are the key properties of N-[[(3S,4R)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide?
N-[[(3S,4R)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 335.52 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 91920928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).