(5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone

C23H37N5O — CID 74316729

IUPAC(5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCCC1NNC(C(=O)N2CCCC(N3CCN(c4ccccc4C)CC3)C2)C1C
InChIInChI=1S/C23H37N5O/c1-4-20-18(3)22(25-24-20)23(29)28-11-7-9-19(16-28)26-12-14-27(15-13-26)21-10-6-5-8-17(21)2/h5-6,8,10,18-20,22,24-25H,4,7,9,11-16H2,1-3H3
InChIKeyHVASENLEIYHNNM-UHFFFAOYSA-N
MW399.58 g/mol
LogP2.00
Rot. Bonds4

About (5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone

(5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 74316729) has the molecular formula C23H37N5O and a molecular weight of 399.58 g/mol. Its IUPAC name is (5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID74316729
Molecular FormulaC23H37N5O
Molecular Weight399.58 g/mol
Exact Mass399.30
IUPAC Name(5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCCC1NNC(C(=O)N2CCCC(N3CCN(c4ccccc4C)CC3)C2)C1C
InChIInChI=1S/C23H37N5O/c1-4-20-18(3)22(25-24-20)23(29)28-11-7-9-19(16-28)26-12-14-27(15-13-26)21-10-6-5-8-17(21)2/h5-6,8,10,18-20,22,24-25H,4,7,9,11-16H2,1-3H3
InChIKeyHVASENLEIYHNNM-UHFFFAOYSA-N
XLogP2.00
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-2-propoxyethanone
CID 95714921
1-[4-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]phenyl]ethanone
CID 45208229
[(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 42532864
(3-bromophenyl)-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 92986000
cyclopenten-1-yl-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 26394595
4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 95717493
(4-methoxyphenyl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42855201
2-(2-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930347
[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 42291710
(5-methyl-1,2-oxazol-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 45221624
N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]acetamide
CID 56890289
N,N-dimethyl-3-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]propanamide
CID 95713260

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 74316729) is (5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone is CCC1NNC(C(=O)N2CCCC(N3CCN(c4ccccc4C)CC3)C2)C1C.
What is the InChIKey of (5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is HVASENLEIYHNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O/c1-4-20-18(3)22(25-24-20)23(29)28-11-7-9-19(16-28)26-12-14-27(15-13-26)21-10-6-5-8-17(21)2/h5-6,8,10,18-20,22,24-25H,4,7,9,11-16H2,1-3H3.
What are the key properties of (5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
(5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 399.58 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-4-methylpyrazolidin-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 74316729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).