ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C22H37N3O — CID 156841300

IUPACethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCC.O=C(NCCN1CCCCC1)c1ccc2[nH]c3c(c2c1)CCCC3.[H][H].[H][H]
InChIInChI=1S/C20H27N3O.C2H6.2H2/c24-20(21-10-13-23-11-4-1-5-12-23)15-8-9-19-17(14-15)16-6-2-3-7-18(16)22-19;1-2;;/h8-9,14,22H,1-7,10-13H2,(H,21,24);1-2H3;2*1H
InChIKeyMHFZJMRXFZYREH-UHFFFAOYSA-N
MW359.56 g/mol
LogP4.78
Rot. Bonds4

About ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 156841300) has the molecular formula C22H37N3O and a molecular weight of 359.56 g/mol. Its IUPAC name is ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound Nameethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID156841300
Molecular FormulaC22H37N3O
Molecular Weight359.56 g/mol
Exact Mass359.29
IUPAC Nameethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCC.O=C(NCCN1CCCCC1)c1ccc2[nH]c3c(c2c1)CCCC3.[H][H].[H][H]
InChIInChI=1S/C20H27N3O.C2H6.2H2/c24-20(21-10-13-23-11-4-1-5-12-23)15-8-9-19-17(14-15)16-6-2-3-7-18(16)22-19;1-2;;/h8-9,14,22H,1-7,10-13H2,(H,21,24);1-2H3;2*1H
InChIKeyMHFZJMRXFZYREH-UHFFFAOYSA-N
XLogP4.78
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 54.78
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

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CID 35377516
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CID 24641089
N-(2-piperidin-1-ylethyl)-1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)ethenamine
CID 156841297
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932
N-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 43064788
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
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-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 77096074
N-[3-(2-hydroxyethoxy)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110023973
N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46560236
3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 79467099
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 156841300) is ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is CC.O=C(NCCN1CCCCC1)c1ccc2[nH]c3c(c2c1)CCCC3.[H][H].[H][H].
What is the InChIKey of ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is MHFZJMRXFZYREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O.C2H6.2H2/c24-20(21-10-13-23-11-4-1-5-12-23)15-8-9-19-17(14-15)16-6-2-3-7-18(16)22-19;1-2;;/h8-9,14,22H,1-7,10-13H2,(H,21,24);1-2H3;2*1H.
What are the key properties of ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 359.56 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 156841300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).