N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide

C16H25N3O2 — CID 63627698

IUPACN-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide
SMILESNCCN1CCC(NC(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C16H25N3O2/c17-9-12-19-10-6-14(7-11-19)18-16(20)8-13-21-15-4-2-1-3-5-15/h1-5,14H,6-13,17H2,(H,18,20)
InChIKeyJUJTWWAXMGDWQE-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.99
Rot. Bonds7

About N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide

N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide (PubChem CID 63627698) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide
PubChem CID63627698
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide
SMILESNCCN1CCC(NC(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C16H25N3O2/c17-9-12-19-10-6-14(7-11-19)18-16(20)8-13-21-15-4-2-1-3-5-15/h1-5,14H,6-13,17H2,(H,18,20)
InChIKeyJUJTWWAXMGDWQE-UHFFFAOYSA-N
XLogP0.99
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 166191503
N-cyclopropyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 34188101
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
3-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119891190
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
CID 24504189
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide
CID 51123832
2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide
CID 119891153
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide
CID 108554888
3-phenoxy-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 56853055
N-(3-aminocyclobutyl)-3-phenoxypropanamide
CID 43595119
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
CID 118780415

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide?
The IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide (CID 63627698) is N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide is NCCN1CCC(NC(=O)CCOc2ccccc2)CC1.
What is the InChIKey of N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide?
The InChIKey is JUJTWWAXMGDWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c17-9-12-19-10-6-14(7-11-19)18-16(20)8-13-21-15-4-2-1-3-5-15/h1-5,14H,6-13,17H2,(H,18,20).
What are the key properties of N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide?
N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide has a molecular weight of 291.39 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide is sourced from PubChem (CID 63627698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).