N-[4-(3-hydroxypiperidin-1-yl)butyl]-N-[(Z)-prop-2-enylideneamino]acetamide

C14H25N3O2 — CID 156511729

IUPACN-[4-(3-hydroxypiperidin-1-yl)butyl]-N-[(Z)-prop-2-enylideneamino]acetamide
SMILESC=C/C=N\N(CCCCN1CCCC(O)C1)C(C)=O
InChIInChI=1S/C14H25N3O2/c1-3-8-15-17(13(2)18)11-5-4-9-16-10-6-7-14(19)12-16/h3,8,14,19H,1,4-7,9-12H2,2H3/b15-8-
InChIKeyLSZQRBKVDYMIDS-NVNXTCNLSA-N
MW267.37 g/mol
LogP1.24
Rot. Bonds7

About N-[4-(3-hydroxypiperidin-1-yl)butyl]-N-[(Z)-prop-2-enylideneamino]acetamide

N-[4-(3-hydroxypiperidin-1-yl)butyl]-N-[(Z)-prop-2-enylideneamino]acetamide (PubChem CID 156511729) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[4-(3-hydroxypiperidin-1-yl)butyl]-N-[(Z)-prop-2-enylideneamino]acetamide.

Molecular Properties

Compound NameN-[4-(3-hydroxypiperidin-1-yl)butyl]-N-[(Z)-prop-2-enylideneamino]acetamide
PubChem CID156511729
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-[4-(3-hydroxypiperidin-1-yl)butyl]-N-[(Z)-prop-2-enylideneamino]acetamide
SMILESC=C/C=N\N(CCCCN1CCCC(O)C1)C(C)=O
InChIInChI=1S/C14H25N3O2/c1-3-8-15-17(13(2)18)11-5-4-9-16-10-6-7-14(19)12-16/h3,8,14,19H,1,4-7,9-12H2,2H3/b15-8-
InChIKeyLSZQRBKVDYMIDS-NVNXTCNLSA-N
XLogP1.24
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-Hydroxypentyl)pyridazin-3-one
CID 62848741

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxypiperidin-1-yl)butyl]-N-[(Z)-prop-2-enylideneamino]acetamide?
The IUPAC name of N-[4-(3-hydroxypiperidin-1-yl)butyl]-N-[(Z)-prop-2-enylideneamino]acetamide (CID 156511729) is N-[4-(3-hydroxypiperidin-1-yl)butyl]-N-[(Z)-prop-2-enylideneamino]acetamide.
What is the SMILES notation for N-[4-(3-hydroxypiperidin-1-yl)butyl]-N-[(Z)-prop-2-enylideneamino]acetamide?
The canonical SMILES for N-[4-(3-hydroxypiperidin-1-yl)butyl]-N-[(Z)-prop-2-enylideneamino]acetamide is C=C/C=N\N(CCCCN1CCCC(O)C1)C(C)=O.
What is the InChIKey of N-[4-(3-hydroxypiperidin-1-yl)butyl]-N-[(Z)-prop-2-enylideneamino]acetamide?
The InChIKey is LSZQRBKVDYMIDS-NVNXTCNLSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-8-15-17(13(2)18)11-5-4-9-16-10-6-7-14(19)12-16/h3,8,14,19H,1,4-7,9-12H2,2H3/b15-8-.
What are the key properties of N-[4-(3-hydroxypiperidin-1-yl)butyl]-N-[(Z)-prop-2-enylideneamino]acetamide?
N-[4-(3-hydroxypiperidin-1-yl)butyl]-N-[(Z)-prop-2-enylideneamino]acetamide has a molecular weight of 267.37 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxypiperidin-1-yl)butyl]-N-[(Z)-prop-2-enylideneamino]acetamide is sourced from PubChem (CID 156511729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).