[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone

C19H35N3O2 — CID 97015920

IUPAC[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone
SMILESCC(C)CN1CCC(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)CC1
InChIInChI=1S/C19H35N3O2/c1-15(2)14-20-8-6-16(7-9-20)19(24)22-12-10-21(11-13-22)17-4-3-5-18(17)23/h15-18,23H,3-14H2,1-2H3/t17-,18+/m1/s1
InChIKeyKHHZXHPRIXSWRG-MSOLQXFVSA-N
MW337.51 g/mol
LogP1.41
Rot. Bonds4

About [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone

[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone (PubChem CID 97015920) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone
PubChem CID97015920
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone
SMILESCC(C)CN1CCC(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)CC1
InChIInChI=1S/C19H35N3O2/c1-15(2)14-20-8-6-16(7-9-20)19(24)22-12-10-21(11-13-22)17-4-3-5-18(17)23/h15-18,23H,3-14H2,1-2H3/t17-,18+/m1/s1
InChIKeyKHHZXHPRIXSWRG-MSOLQXFVSA-N
XLogP1.41
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone?
The IUPAC name of [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone (CID 97015920) is [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone?
The canonical SMILES for [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone is CC(C)CN1CCC(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)CC1.
What is the InChIKey of [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone?
The InChIKey is KHHZXHPRIXSWRG-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-15(2)14-20-8-6-16(7-9-20)19(24)22-12-10-21(11-13-22)17-4-3-5-18(17)23/h15-18,23H,3-14H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone?
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone has a molecular weight of 337.51 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone is sourced from PubChem (CID 97015920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).