[5-(piperidin-1-ylmethyl)piperazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C18H35N5O — CID 141128816

IUPAC[5-(piperidin-1-ylmethyl)piperazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2CNC(CN3CCCCC3)CN2)CC1
InChIInChI=1S/C18H35N5O/c1-15(2)22-8-10-23(11-9-22)18(24)17-13-19-16(12-20-17)14-21-6-4-3-5-7-21/h15-17,19-20H,3-14H2,1-2H3
InChIKeyLSHZFUIJAMBJRY-UHFFFAOYSA-N
MW337.51 g/mol
LogP-0.05
Rot. Bonds4

About [5-(piperidin-1-ylmethyl)piperazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[5-(piperidin-1-ylmethyl)piperazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 141128816) has the molecular formula C18H35N5O and a molecular weight of 337.51 g/mol. Its IUPAC name is [5-(piperidin-1-ylmethyl)piperazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(piperidin-1-ylmethyl)piperazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID141128816
Molecular FormulaC18H35N5O
Molecular Weight337.51 g/mol
Exact Mass337.28
IUPAC Name[5-(piperidin-1-ylmethyl)piperazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2CNC(CN3CCCCC3)CN2)CC1
InChIInChI=1S/C18H35N5O/c1-15(2)22-8-10-23(11-9-22)18(24)17-13-19-16(12-20-17)14-21-6-4-3-5-7-21/h15-17,19-20H,3-14H2,1-2H3
InChIKeyLSHZFUIJAMBJRY-UHFFFAOYSA-N
XLogP-0.05
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-(piperidin-1-ylmethyl)piperazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(S)-4-Amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)-butan-1-one
CID 10468265
3-[2-(4-Cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one
CID 24791447
1-Cyclohexyl-4-[(1-methyl-3-oxo-2-piperazinyl)acetyl]-2-piperazinone
CID 24817509
Piperazine, 1-(1-oxo-2-(1-piperidinyl)propyl)-4-(1-oxo-3-(1-piperidinyl)propyl)-, dihydrochloride
CID 24842221
1,2,3-Tri(piperidin-1-yl)butan-1-one
CID 246948
N-(2-methylpropyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide
CID 75386858
2-[4-(Methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 50989053
3,6-Bis(piperidin-1-ylmethyl)piperazine-2,5-dione
CID 320052
N-cyclopropyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide
CID 3229556
1-Piperidin-1-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 3229558
4-(1-Methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one
CID 134789946
4-Acetyl-1-piperidin-4-ylpiperazin-2-one
CID 134790151

Frequently Asked Questions

What is the IUPAC name of [5-(piperidin-1-ylmethyl)piperazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-(piperidin-1-ylmethyl)piperazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 141128816) is [5-(piperidin-1-ylmethyl)piperazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(piperidin-1-ylmethyl)piperazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(piperidin-1-ylmethyl)piperazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)C2CNC(CN3CCCCC3)CN2)CC1.
What is the InChIKey of [5-(piperidin-1-ylmethyl)piperazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is LSHZFUIJAMBJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5O/c1-15(2)22-8-10-23(11-9-22)18(24)17-13-19-16(12-20-17)14-21-6-4-3-5-7-21/h15-17,19-20H,3-14H2,1-2H3.
What are the key properties of [5-(piperidin-1-ylmethyl)piperazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[5-(piperidin-1-ylmethyl)piperazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 337.51 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(piperidin-1-ylmethyl)piperazin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 141128816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).