N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide

C20H30N2O3 — CID 111429731

IUPACN-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide
SMILESCC(C)Oc1cccc(C=CC(=O)NCCCN2CCC(O)CC2)c1
InChIInChI=1S/C20H30N2O3/c1-16(2)25-19-6-3-5-17(15-19)7-8-20(24)21-11-4-12-22-13-9-18(23)10-14-22/h3,5-8,15-16,18,23H,4,9-14H2,1-2H3,(H,21,24)
InChIKeySIUATWHPOAGKHP-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.45
Rot. Bonds8

About N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide

N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide (PubChem CID 111429731) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide
PubChem CID111429731
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide
SMILESCC(C)Oc1cccc(C=CC(=O)NCCCN2CCC(O)CC2)c1
InChIInChI=1S/C20H30N2O3/c1-16(2)25-19-6-3-5-17(15-19)7-8-20(24)21-11-4-12-22-13-9-18(23)10-14-22/h3,5-8,15-16,18,23H,4,9-14H2,1-2H3,(H,21,24)
InChIKeySIUATWHPOAGKHP-UHFFFAOYSA-N
XLogP2.45
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylbutyl)prop-2-enamide
CID 27397147
3-(3-chlorophenyl)-N-[3-[4-[3-[3-(3-chlorophenyl)prop-2-enoylamino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 3586028
2-[2-[[(E)-3-(3-propan-2-yloxyphenyl)prop-2-enoyl]amino]ethoxy]propanoic acid
CID 110495229
(E)-3-(3-aminophenyl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 115342775
(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 27396981
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-propan-2-yloxyphenyl)prop-2-en-1-one
CID 111105265
(E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 44533324
(E)-3-(3,4-dimethoxyphenyl)-N-[3-[4-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 6277320
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide
CID 111429477
(E)-N-(3-imidazol-1-ylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 27397163
1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648
(E)-3-(2,6-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)butyl]prop-2-enamide
CID 47888977

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide?
The IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide (CID 111429731) is N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide?
The canonical SMILES for N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide is CC(C)Oc1cccc(C=CC(=O)NCCCN2CCC(O)CC2)c1.
What is the InChIKey of N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide?
The InChIKey is SIUATWHPOAGKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-16(2)25-19-6-3-5-17(15-19)7-8-20(24)21-11-4-12-22-13-9-18(23)10-14-22/h3,5-8,15-16,18,23H,4,9-14H2,1-2H3,(H,21,24).
What are the key properties of N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide?
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide has a molecular weight of 346.47 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(3-propan-2-yloxyphenyl)prop-2-enamide is sourced from PubChem (CID 111429731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).