N-[(3-hydroxypiperidin-3-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide;dihydrochloride

C14H30Cl2N4O2 — CID 154887899

IUPACN-[(3-hydroxypiperidin-3-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide;dihydrochloride
SMILESCN1CCCN(CC(=O)NCC2(O)CCCNC2)CC1.Cl.Cl
InChIInChI=1S/C14H28N4O2.2ClH/c1-17-6-3-7-18(9-8-17)10-13(19)16-12-14(20)4-2-5-15-11-14;;/h15,20H,2-12H2,1H3,(H,16,19);2*1H
InChIKeyNZFVICLGGURBMQ-UHFFFAOYSA-N
MW357.33 g/mol
LogP-0.30
Rot. Bonds4

About N-[(3-hydroxypiperidin-3-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide;dihydrochloride

N-[(3-hydroxypiperidin-3-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide;dihydrochloride (PubChem CID 154887899) has the molecular formula C14H30Cl2N4O2 and a molecular weight of 357.33 g/mol. Its IUPAC name is N-[(3-hydroxypiperidin-3-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[(3-hydroxypiperidin-3-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide;dihydrochloride
PubChem CID154887899
Molecular FormulaC14H30Cl2N4O2
Molecular Weight357.33 g/mol
Exact Mass356.17
IUPAC NameN-[(3-hydroxypiperidin-3-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide;dihydrochloride
SMILESCN1CCCN(CC(=O)NCC2(O)CCCNC2)CC1.Cl.Cl
InChIInChI=1S/C14H28N4O2.2ClH/c1-17-6-3-7-18(9-8-17)10-13(19)16-12-14(20)4-2-5-15-11-14;;/h15,20H,2-12H2,1H3,(H,16,19);2*1H
InChIKeyNZFVICLGGURBMQ-UHFFFAOYSA-N
XLogP-0.30
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 43509649
N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 89043934
N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 91828484
N-[(1-hydroxycyclopentyl)methyl]-2-morpholin-4-ylacetamide
CID 110011664
1-[(3-hydroxypiperidin-3-yl)methyl]-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 74248365
N-(2-tert-butylsulfanylethyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 50956247
2-(4-methylpiperazin-1-yl)-N-[[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide
CID 22489803
3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol;dihydrochloride
CID 146675401
1-methyl-4-[(3-methylpiperidin-3-yl)methyl]-1,4-diazepane
CID 63133054
N-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 79209328
2-(4-ethylpiperazin-1-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide
CID 131891688
1-[[(2-piperazin-1-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433571

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypiperidin-3-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide;dihydrochloride?
The IUPAC name of N-[(3-hydroxypiperidin-3-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide;dihydrochloride (CID 154887899) is N-[(3-hydroxypiperidin-3-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-[(3-hydroxypiperidin-3-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide;dihydrochloride?
The canonical SMILES for N-[(3-hydroxypiperidin-3-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide;dihydrochloride is CN1CCCN(CC(=O)NCC2(O)CCCNC2)CC1.Cl.Cl.
What is the InChIKey of N-[(3-hydroxypiperidin-3-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide;dihydrochloride?
The InChIKey is NZFVICLGGURBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2.2ClH/c1-17-6-3-7-18(9-8-17)10-13(19)16-12-14(20)4-2-5-15-11-14;;/h15,20H,2-12H2,1H3,(H,16,19);2*1H.
What are the key properties of N-[(3-hydroxypiperidin-3-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide;dihydrochloride?
N-[(3-hydroxypiperidin-3-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide;dihydrochloride has a molecular weight of 357.33 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypiperidin-3-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide;dihydrochloride is sourced from PubChem (CID 154887899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).