N-propyl-2-[4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperazin-1-yl]acetamide

C22H30N4O2 — CID 102603763

IUPACN-propyl-2-[4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperazin-1-yl]acetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1
InChIInChI=1S/C22H30N4O2/c1-2-9-23-21(27)15-25-10-12-26(13-11-25)22(28)16-7-8-20-18(14-16)17-5-3-4-6-19(17)24-20/h7-8,14,24H,2-6,9-13,15H2,1H3,(H,23,27)
InChIKeyFSEFQKKUJQLFSX-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.33
Rot. Bonds5

About N-propyl-2-[4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperazin-1-yl]acetamide

N-propyl-2-[4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperazin-1-yl]acetamide (PubChem CID 102603763) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-propyl-2-[4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-propyl-2-[4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperazin-1-yl]acetamide
PubChem CID102603763
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-propyl-2-[4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperazin-1-yl]acetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1
InChIInChI=1S/C22H30N4O2/c1-2-9-23-21(27)15-25-10-12-26(13-11-25)22(28)16-7-8-20-18(14-16)17-5-3-4-6-19(17)24-20/h7-8,14,24H,2-6,9-13,15H2,1H3,(H,23,27)
InChIKeyFSEFQKKUJQLFSX-UHFFFAOYSA-N
XLogP2.33
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride
CID 17420279
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 34815059
6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 22017564
2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide
CID 134014588
ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 156841300
[4-(benzenesulfonyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone
CID 27509510
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide
CID 4612444
N-butyl-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]acetamide
CID 43020080
[(2S)-2-methylmorpholin-4-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone
CID 41247140
N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 35357599
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 24641089
N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 35377516

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-propyl-2-[4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperazin-1-yl]acetamide (CID 102603763) is N-propyl-2-[4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-propyl-2-[4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-propyl-2-[4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperazin-1-yl]acetamide is CCCNC(=O)CN1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1.
What is the InChIKey of N-propyl-2-[4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is FSEFQKKUJQLFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-2-9-23-21(27)15-25-10-12-26(13-11-25)22(28)16-7-8-20-18(14-16)17-5-3-4-6-19(17)24-20/h7-8,14,24H,2-6,9-13,15H2,1H3,(H,23,27).
What are the key properties of N-propyl-2-[4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperazin-1-yl]acetamide?
N-propyl-2-[4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 382.51 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 102603763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).