N-cyclopentyl-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylethyl]piperidin-4-amine

C25H42N4O — CID 51001214

IUPACN-cyclopentyl-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylethyl]piperidin-4-amine
SMILESCOCCN1CCN(C(CN2CCC(NC3CCCC3)CC2)c2ccccc2)CC1
InChIInChI=1S/C25H42N4O/c1-30-20-19-27-15-17-29(18-16-27)25(22-7-3-2-4-8-22)21-28-13-11-24(12-14-28)26-23-9-5-6-10-23/h2-4,7-8,23-26H,5-6,9-21H2,1H3
InChIKeyQMDDQVDUUVNTJC-UHFFFAOYSA-N
MW414.64 g/mol
LogP2.99
Rot. Bonds9

About N-cyclopentyl-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylethyl]piperidin-4-amine

N-cyclopentyl-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylethyl]piperidin-4-amine (PubChem CID 51001214) has the molecular formula C25H42N4O and a molecular weight of 414.64 g/mol. Its IUPAC name is N-cyclopentyl-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylethyl]piperidin-4-amine
PubChem CID51001214
Molecular FormulaC25H42N4O
Molecular Weight414.64 g/mol
Exact Mass414.34
IUPAC NameN-cyclopentyl-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylethyl]piperidin-4-amine
SMILESCOCCN1CCN(C(CN2CCC(NC3CCCC3)CC2)c2ccccc2)CC1
InChIInChI=1S/C25H42N4O/c1-30-20-19-27-15-17-29(18-16-27)25(22-7-3-2-4-8-22)21-28-13-11-24(12-14-28)26-23-9-5-6-10-23/h2-4,7-8,23-26H,5-6,9-21H2,1H3
InChIKeyQMDDQVDUUVNTJC-UHFFFAOYSA-N
XLogP2.99
TPSA30.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.64
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylethyl]piperidin-4-amine?
The IUPAC name of N-cyclopentyl-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylethyl]piperidin-4-amine (CID 51001214) is N-cyclopentyl-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylethyl]piperidin-4-amine.
What is the SMILES notation for N-cyclopentyl-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylethyl]piperidin-4-amine?
The canonical SMILES for N-cyclopentyl-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylethyl]piperidin-4-amine is COCCN1CCN(C(CN2CCC(NC3CCCC3)CC2)c2ccccc2)CC1.
What is the InChIKey of N-cyclopentyl-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylethyl]piperidin-4-amine?
The InChIKey is QMDDQVDUUVNTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O/c1-30-20-19-27-15-17-29(18-16-27)25(22-7-3-2-4-8-22)21-28-13-11-24(12-14-28)26-23-9-5-6-10-23/h2-4,7-8,23-26H,5-6,9-21H2,1H3.
What are the key properties of N-cyclopentyl-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylethyl]piperidin-4-amine?
N-cyclopentyl-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylethyl]piperidin-4-amine has a molecular weight of 414.64 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylethyl]piperidin-4-amine is sourced from PubChem (CID 51001214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).