[3-[(4-cyclopropylpiperazin-1-yl)methyl]-1H-indol-6-yl]-piperidin-1-ylmethanone

C22H30N4O — CID 25062468

IUPAC[3-[(4-cyclopropylpiperazin-1-yl)methyl]-1H-indol-6-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc2c(CN3CCN(C4CC4)CC3)c[nH]c2c1)N1CCCCC1
InChIInChI=1S/C22H30N4O/c27-22(26-8-2-1-3-9-26)17-4-7-20-18(15-23-21(20)14-17)16-24-10-12-25(13-11-24)19-5-6-19/h4,7,14-15,19,23H,1-3,5-6,8-13,16H2
InChIKeyVIUVPRHUBDHBQZ-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.07
Rot. Bonds4

About [3-[(4-cyclopropylpiperazin-1-yl)methyl]-1H-indol-6-yl]-piperidin-1-ylmethanone

[3-[(4-cyclopropylpiperazin-1-yl)methyl]-1H-indol-6-yl]-piperidin-1-ylmethanone (PubChem CID 25062468) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is [3-[(4-cyclopropylpiperazin-1-yl)methyl]-1H-indol-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[(4-cyclopropylpiperazin-1-yl)methyl]-1H-indol-6-yl]-piperidin-1-ylmethanone
PubChem CID25062468
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name[3-[(4-cyclopropylpiperazin-1-yl)methyl]-1H-indol-6-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc2c(CN3CCN(C4CC4)CC3)c[nH]c2c1)N1CCCCC1
InChIInChI=1S/C22H30N4O/c27-22(26-8-2-1-3-9-26)17-4-7-20-18(15-23-21(20)14-17)16-24-10-12-25(13-11-24)19-5-6-19/h4,7,14-15,19,23H,1-3,5-6,8-13,16H2
InChIKeyVIUVPRHUBDHBQZ-UHFFFAOYSA-N
XLogP3.07
TPSA42.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[(4-cyclopropylpiperazin-1-yl)methyl]-1H-indol-6-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

(4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone
CID 68564319
[3-[(4-benzylpiperidin-1-yl)methyl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 25059867
3-(piperidin-1-ylmethyl)-1H-indol-6-ol
CID 84693698
[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 796405
(3,4-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone;oxalic acid
CID 17366083
[3-[[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 112844471
azepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone
CID 898620
[3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68564576
3-[3-[(4-cyclobutylpiperazin-1-yl)methyl]-1H-indol-6-yl]morpholine
CID 123513008
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934
5-(4-cyclopropylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 47268320

Frequently Asked Questions

What is the IUPAC name of [3-[(4-cyclopropylpiperazin-1-yl)methyl]-1H-indol-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[(4-cyclopropylpiperazin-1-yl)methyl]-1H-indol-6-yl]-piperidin-1-ylmethanone (CID 25062468) is [3-[(4-cyclopropylpiperazin-1-yl)methyl]-1H-indol-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[(4-cyclopropylpiperazin-1-yl)methyl]-1H-indol-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[(4-cyclopropylpiperazin-1-yl)methyl]-1H-indol-6-yl]-piperidin-1-ylmethanone is O=C(c1ccc2c(CN3CCN(C4CC4)CC3)c[nH]c2c1)N1CCCCC1.
What is the InChIKey of [3-[(4-cyclopropylpiperazin-1-yl)methyl]-1H-indol-6-yl]-piperidin-1-ylmethanone?
The InChIKey is VIUVPRHUBDHBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c27-22(26-8-2-1-3-9-26)17-4-7-20-18(15-23-21(20)14-17)16-24-10-12-25(13-11-24)19-5-6-19/h4,7,14-15,19,23H,1-3,5-6,8-13,16H2.
What are the key properties of [3-[(4-cyclopropylpiperazin-1-yl)methyl]-1H-indol-6-yl]-piperidin-1-ylmethanone?
[3-[(4-cyclopropylpiperazin-1-yl)methyl]-1H-indol-6-yl]-piperidin-1-ylmethanone has a molecular weight of 366.51 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-cyclopropylpiperazin-1-yl)methyl]-1H-indol-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 25062468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).