(2R)-N-cycloheptyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide

C20H32N3O2+ — CID 9276816

IUPAC(2R)-N-cycloheptyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
SMILESC[C@H](C(=O)NC1CCCCCC1)[NH+]1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C20H31N3O2/c1-16(20(25)21-17-6-4-2-3-5-7-17)22-12-14-23(15-13-22)18-8-10-19(24)11-9-18/h8-11,16-17,24H,2-7,12-15H2,1H3,(H,21,25)/p+1/t16-/m1/s1
InChIKeyVJJKKKRNDKUNMB-MRXNPFEDSA-O
MW346.50 g/mol
LogP1.32
Rot. Bonds4

About (2R)-N-cycloheptyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide

(2R)-N-cycloheptyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide (PubChem CID 9276816) has the molecular formula C20H32N3O2+ and a molecular weight of 346.50 g/mol. Its IUPAC name is (2R)-N-cycloheptyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-cycloheptyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
PubChem CID9276816
Molecular FormulaC20H32N3O2+
Molecular Weight346.50 g/mol
Exact Mass346.25
IUPAC Name(2R)-N-cycloheptyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
SMILESC[C@H](C(=O)NC1CCCCCC1)[NH+]1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C20H31N3O2/c1-16(20(25)21-17-6-4-2-3-5-7-17)22-12-14-23(15-13-22)18-8-10-19(24)11-9-18/h8-11,16-17,24H,2-7,12-15H2,1H3,(H,21,25)/p+1/t16-/m1/s1
InChIKeyVJJKKKRNDKUNMB-MRXNPFEDSA-O
XLogP1.32
TPSA57.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cycloheptyl-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9461962
(2R)-N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9462162
(2R)-N-(cyclohexylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide
CID 7777019
(2R)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide
CID 9027647
N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 4169539
(2S)-N-cyclopentyl-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide
CID 2411592
(2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 8528570
(2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9276895
(2R)-N-cyclopentyl-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8514498
(2S)-2-(azepan-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 9267789
(2R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 11928052
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9276854

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cycloheptyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide?
The IUPAC name of (2R)-N-cycloheptyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide (CID 9276816) is (2R)-N-cycloheptyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide.
What is the SMILES notation for (2R)-N-cycloheptyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide?
The canonical SMILES for (2R)-N-cycloheptyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide is C[C@H](C(=O)NC1CCCCCC1)[NH+]1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of (2R)-N-cycloheptyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide?
The InChIKey is VJJKKKRNDKUNMB-MRXNPFEDSA-O. The full InChI is InChI=1S/C20H31N3O2/c1-16(20(25)21-17-6-4-2-3-5-7-17)22-12-14-23(15-13-22)18-8-10-19(24)11-9-18/h8-11,16-17,24H,2-7,12-15H2,1H3,(H,21,25)/p+1/t16-/m1/s1.
What are the key properties of (2R)-N-cycloheptyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide?
(2R)-N-cycloheptyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide has a molecular weight of 346.50 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cycloheptyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide is sourced from PubChem (CID 9276816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).