N-[3-[4-(aminomethyl)piperidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide

C21H25N3O2S — CID 119423582

IUPACN-[3-[4-(aminomethyl)piperidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESNCC1CCN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C21H25N3O2S/c22-13-14-6-9-24(10-7-14)21(26)18-8-11-27-20(18)23-19(25)17-5-4-15-2-1-3-16(15)12-17/h4-5,8,11-12,14H,1-3,6-7,9-10,13,22H2,(H,23,25)
InChIKeyATABXUBFSYCUAD-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.30
Rot. Bonds4

About N-[3-[4-(aminomethyl)piperidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide

N-[3-[4-(aminomethyl)piperidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 119423582) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[3-[4-(aminomethyl)piperidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(aminomethyl)piperidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID119423582
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-[3-[4-(aminomethyl)piperidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESNCC1CCN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C21H25N3O2S/c22-13-14-6-9-24(10-7-14)21(26)18-8-11-27-20(18)23-19(25)17-5-4-15-2-1-3-16(15)12-17/h4-5,8,11-12,14H,1-3,6-7,9-10,13,22H2,(H,23,25)
InChIKeyATABXUBFSYCUAD-UHFFFAOYSA-N
XLogP3.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 119485689
N-[3-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophen-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 154840874
N-[3-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 119579024
N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carboxamide;hydrochloride
CID 119615790
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride
CID 119483467
2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-piperidin-4-ylthiophene-3-carboxamide
CID 119388601
2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
CID 119462719
4-ethyl-N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide
CID 119648185
3-[[2-(2,3-dihydro-1H-indene-5-carbonylamino)thiophene-3-carbonyl]-methylamino]propanoic acid
CID 119362239
2-[1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]acetamide
CID 86996686
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119485706
2-(2,3-dihydro-1H-indene-5-carbonylamino)-N-(3-methylpiperidin-4-yl)thiophene-3-carboxamide
CID 120556634

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(aminomethyl)piperidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[3-[4-(aminomethyl)piperidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide (CID 119423582) is N-[3-[4-(aminomethyl)piperidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[3-[4-(aminomethyl)piperidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[3-[4-(aminomethyl)piperidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide is NCC1CCN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of N-[3-[4-(aminomethyl)piperidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is ATABXUBFSYCUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c22-13-14-6-9-24(10-7-14)21(26)18-8-11-27-20(18)23-19(25)17-5-4-15-2-1-3-16(15)12-17/h4-5,8,11-12,14H,1-3,6-7,9-10,13,22H2,(H,23,25).
What are the key properties of N-[3-[4-(aminomethyl)piperidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[3-[4-(aminomethyl)piperidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(aminomethyl)piperidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 119423582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).