N-(2-piperidin-1-ylethyl)-1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)ethenamine

C21H29N3 — CID 156841297

IUPACN-(2-piperidin-1-ylethyl)-1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)ethenamine
SMILESC=C(NCCN1CCCCC1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C21H29N3/c1-16(22-11-14-24-12-5-2-6-13-24)17-9-10-21-19(15-17)18-7-3-4-8-20(18)23-21/h9-10,15,22-23H,1-8,11-14H2
InChIKeyADABWDJZZDLBCO-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.09
Rot. Bonds5

About N-(2-piperidin-1-ylethyl)-1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)ethenamine

N-(2-piperidin-1-ylethyl)-1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)ethenamine (PubChem CID 156841297) has the molecular formula C21H29N3 and a molecular weight of 323.48 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)ethenamine.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)ethenamine
PubChem CID156841297
Molecular FormulaC21H29N3
Molecular Weight323.48 g/mol
Exact Mass323.24
IUPAC NameN-(2-piperidin-1-ylethyl)-1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)ethenamine
SMILESC=C(NCCN1CCCCC1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C21H29N3/c1-16(22-11-14-24-12-5-2-6-13-24)17-9-10-21-19(15-17)18-7-3-4-8-20(18)23-21/h9-10,15,22-23H,1-8,11-14H2
InChIKeyADABWDJZZDLBCO-UHFFFAOYSA-N
XLogP4.09
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 156841300
N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 35377516
1-(2-ethyl-3-methyl-1H-indol-5-yl)-N-(2-pyrrolidin-1-ylethyl)ethenamine
CID 156841416
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 24641089
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932
4-[1-(2-piperidin-1-ylethylamino)ethenyl]aniline
CID 89382473
2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid
CID 117359601
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 51185250
N-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 43064788
N-propyl-2-[4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperazin-1-yl]acetamide
CID 102603763
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 77096074
3-oxo-2-(pyrrolidine-1-carbonyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile
CID 75404024

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)ethenamine?
The IUPAC name of N-(2-piperidin-1-ylethyl)-1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)ethenamine (CID 156841297) is N-(2-piperidin-1-ylethyl)-1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)ethenamine.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)ethenamine?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)ethenamine is C=C(NCCN1CCCCC1)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)ethenamine?
The InChIKey is ADABWDJZZDLBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3/c1-16(22-11-14-24-12-5-2-6-13-24)17-9-10-21-19(15-17)18-7-3-4-8-20(18)23-21/h9-10,15,22-23H,1-8,11-14H2.
What are the key properties of N-(2-piperidin-1-ylethyl)-1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)ethenamine?
N-(2-piperidin-1-ylethyl)-1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)ethenamine has a molecular weight of 323.48 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)-1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)ethenamine is sourced from PubChem (CID 156841297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).