N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-phenylpiperazin-1-yl)propanamide

C24H33N5O — CID 91026152

IUPACN-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCc1ccc(N2CCC(NC(=O)CCN3CCN(c4ccccc4)CC3)CC2)nc1
InChIInChI=1S/C24H33N5O/c1-20-7-8-23(25-19-20)29-13-9-21(10-14-29)26-24(30)11-12-27-15-17-28(18-16-27)22-5-3-2-4-6-22/h2-8,19,21H,9-18H2,1H3,(H,26,30)
InChIKeyFMTYSGCYMHUGJB-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.69
Rot. Bonds6

About N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-phenylpiperazin-1-yl)propanamide

N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 91026152) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID91026152
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC NameN-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCc1ccc(N2CCC(NC(=O)CCN3CCN(c4ccccc4)CC3)CC2)nc1
InChIInChI=1S/C24H33N5O/c1-20-7-8-23(25-19-20)29-13-9-21(10-14-29)26-24(30)11-12-27-15-17-28(18-16-27)22-5-3-2-4-6-22/h2-8,19,21H,9-18H2,1H3,(H,26,30)
InChIKeyFMTYSGCYMHUGJB-UHFFFAOYSA-N
XLogP2.69
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-phenylpiperazin-1-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide
CID 58577214
N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 66989567
N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 72879612
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 167934556
2-cyclopropyl-2-hydroxy-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propanamide
CID 154757649
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanamide;methane
CID 158663589
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863
1-methyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 126796587
1-(5-methyl-2-pyridinyl)-4-(2-phenylethyl)piperazine
CID 171337954
N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109019767
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
4-amino-N-(1-phenylpiperidin-4-yl)butanamide
CID 119863037

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-phenylpiperazin-1-yl)propanamide (CID 91026152) is N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-phenylpiperazin-1-yl)propanamide is Cc1ccc(N2CCC(NC(=O)CCN3CCN(c4ccccc4)CC3)CC2)nc1.
What is the InChIKey of N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is FMTYSGCYMHUGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-20-7-8-23(25-19-20)29-13-9-21(10-14-29)26-24(30)11-12-27-15-17-28(18-16-27)22-5-3-2-4-6-22/h2-8,19,21H,9-18H2,1H3,(H,26,30).
What are the key properties of N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-phenylpiperazin-1-yl)propanamide?
N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 407.56 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 91026152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).