(2R)-2-[4-(3-hydroxypropyl)piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide

C18H34N2O2 — CID 97349945

IUPAC(2R)-2-[4-(3-hydroxypropyl)piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N1CCC(CCCO)CC1
InChIInChI=1S/C18H34N2O2/c1-14-6-3-4-8-17(14)19-18(22)15(2)20-11-9-16(10-12-20)7-5-13-21/h14-17,21H,3-13H2,1-2H3,(H,19,22)/t14-,15-,17-/m1/s1
InChIKeyWURNTVQAHDIKIZ-BFYDXBDKSA-N
MW310.48 g/mol
LogP2.55
Rot. Bonds6

About (2R)-2-[4-(3-hydroxypropyl)piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide

(2R)-2-[4-(3-hydroxypropyl)piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide (PubChem CID 97349945) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is (2R)-2-[4-(3-hydroxypropyl)piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(3-hydroxypropyl)piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
PubChem CID97349945
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name(2R)-2-[4-(3-hydroxypropyl)piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N1CCC(CCCO)CC1
InChIInChI=1S/C18H34N2O2/c1-14-6-3-4-8-17(14)19-18(22)15(2)20-11-9-16(10-12-20)7-5-13-21/h14-17,21H,3-13H2,1-2H3,(H,19,22)/t14-,15-,17-/m1/s1
InChIKeyWURNTVQAHDIKIZ-BFYDXBDKSA-N
XLogP2.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(3-hydroxypropyl)piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide?
The IUPAC name of (2R)-2-[4-(3-hydroxypropyl)piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide (CID 97349945) is (2R)-2-[4-(3-hydroxypropyl)piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide.
What is the SMILES notation for (2R)-2-[4-(3-hydroxypropyl)piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide?
The canonical SMILES for (2R)-2-[4-(3-hydroxypropyl)piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide is C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N1CCC(CCCO)CC1.
What is the InChIKey of (2R)-2-[4-(3-hydroxypropyl)piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide?
The InChIKey is WURNTVQAHDIKIZ-BFYDXBDKSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-14-6-3-4-8-17(14)19-18(22)15(2)20-11-9-16(10-12-20)7-5-13-21/h14-17,21H,3-13H2,1-2H3,(H,19,22)/t14-,15-,17-/m1/s1.
What are the key properties of (2R)-2-[4-(3-hydroxypropyl)piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide?
(2R)-2-[4-(3-hydroxypropyl)piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide has a molecular weight of 310.48 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(3-hydroxypropyl)piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide is sourced from PubChem (CID 97349945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).