4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide

C18H29N3O2 — CID 120565344

IUPAC4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide
SMILESCC(N)CCC(=O)NCc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C18H29N3O2/c1-14(19)2-7-18(23)20-12-15-3-5-16(6-4-15)13-21-10-8-17(22)9-11-21/h3-6,14,17,22H,2,7-13,19H2,1H3,(H,20,23)
InChIKeyYOJWHSDWEFVKTA-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.39
Rot. Bonds7

About 4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide

4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide (PubChem CID 120565344) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide
PubChem CID120565344
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide
SMILESCC(N)CCC(=O)NCc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C18H29N3O2/c1-14(19)2-7-18(23)20-12-15-3-5-16(6-4-15)13-21-10-8-17(22)9-11-21/h3-6,14,17,22H,2,7-13,19H2,1H3,(H,20,23)
InChIKeyYOJWHSDWEFVKTA-UHFFFAOYSA-N
XLogP1.39
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-ethoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 95150276
3-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]butanamide
CID 119867293
3-amino-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 119901440
4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride
CID 120558836
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 56551886
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 56551818
4-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
CID 120564614
2-benzhydryloxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 56551787
N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 56551816
4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide
CID 120565252
7-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
CID 119845060
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-(3-methylphenoxy)pentanamide
CID 56552060

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide?
The IUPAC name of 4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide (CID 120565344) is 4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide?
The canonical SMILES for 4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide is CC(N)CCC(=O)NCc1ccc(CN2CCC(O)CC2)cc1.
What is the InChIKey of 4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide?
The InChIKey is YOJWHSDWEFVKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14(19)2-7-18(23)20-12-15-3-5-16(6-4-15)13-21-10-8-17(22)9-11-21/h3-6,14,17,22H,2,7-13,19H2,1H3,(H,20,23).
What are the key properties of 4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide?
4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide has a molecular weight of 319.45 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide is sourced from PubChem (CID 120565344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).