N-cyclopentyl-2-[4-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]piperazin-1-yl]propanamide

C25H35N5O2 — CID 86889631

IUPACN-cyclopentyl-2-[4-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1
InChIInChI=1S/C25H35N5O2/c1-18(25(32)26-19-6-2-3-7-19)29-14-12-28(13-15-29)17-24(31)30-11-10-23-21(16-30)20-8-4-5-9-22(20)27-23/h4-5,8-9,18-19,27H,2-3,6-7,10-17H2,1H3,(H,26,32)
InChIKeyOGEUNFHIVPUUQI-UHFFFAOYSA-N
MW437.59 g/mol
LogP2.12
Rot. Bonds5

About N-cyclopentyl-2-[4-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]piperazin-1-yl]propanamide

N-cyclopentyl-2-[4-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]piperazin-1-yl]propanamide (PubChem CID 86889631) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]piperazin-1-yl]propanamide
PubChem CID86889631
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC NameN-cyclopentyl-2-[4-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1
InChIInChI=1S/C25H35N5O2/c1-18(25(32)26-19-6-2-3-7-19)29-14-12-28(13-15-29)17-24(31)30-11-10-23-21(16-30)20-8-4-5-9-22(20)27-23/h4-5,8-9,18-19,27H,2-3,6-7,10-17H2,1H3,(H,26,32)
InChIKeyOGEUNFHIVPUUQI-UHFFFAOYSA-N
XLogP2.12
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-cyclopropyl-2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 35913843
1-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]piperidine-4-carboxamide
CID 933647
N-cyclohexyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 55461906
1-[4-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]piperazin-1-yl]-4-phenylbutan-1-one
CID 86874951
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 86879179
2-piperidin-1-yl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
CID 166309093
2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 60718919
N-cyclopentyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 128951171
6-methyl-3-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46691187
2-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 86895266
2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 34775563
2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 86894923

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopentyl-2-[4-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]piperazin-1-yl]propanamide (CID 86889631) is N-cyclopentyl-2-[4-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[4-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[4-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]piperazin-1-yl]propanamide is CC(C(=O)NC1CCCC1)N1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1.
What is the InChIKey of N-cyclopentyl-2-[4-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]piperazin-1-yl]propanamide?
The InChIKey is OGEUNFHIVPUUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-18(25(32)26-19-6-2-3-7-19)29-14-12-28(13-15-29)17-24(31)30-11-10-23-21(16-30)20-8-4-5-9-22(20)27-23/h4-5,8-9,18-19,27H,2-3,6-7,10-17H2,1H3,(H,26,32).
What are the key properties of N-cyclopentyl-2-[4-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]piperazin-1-yl]propanamide?
N-cyclopentyl-2-[4-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]piperazin-1-yl]propanamide has a molecular weight of 437.59 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 86889631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).