formic acid;N-[2-(1H-imidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide

C16H28N4O5 — CID 154885465

IUPACformic acid;N-[2-(1H-imidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
SMILESCN1CCCC(CCC(=O)NCCc2ncc[nH]2)C1.O=CO.O=CO
InChIInChI=1S/C14H24N4O.2CH2O2/c1-18-10-2-3-12(11-18)4-5-14(19)17-7-6-13-15-8-9-16-13;2*2-1-3/h8-9,12H,2-7,10-11H2,1H3,(H,15,16)(H,17,19);2*1H,(H,2,3)
InChIKeyMGGAMXRLDRTWHL-UHFFFAOYSA-N
MW356.42 g/mol
LogP0.59
Rot. Bonds6

About formic acid;N-[2-(1H-imidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide

formic acid;N-[2-(1H-imidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide (PubChem CID 154885465) has the molecular formula C16H28N4O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is formic acid;N-[2-(1H-imidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Nameformic acid;N-[2-(1H-imidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
PubChem CID154885465
Molecular FormulaC16H28N4O5
Molecular Weight356.42 g/mol
Exact Mass356.21
IUPAC Nameformic acid;N-[2-(1H-imidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
SMILESCN1CCCC(CCC(=O)NCCc2ncc[nH]2)C1.O=CO.O=CO
InChIInChI=1S/C14H24N4O.2CH2O2/c1-18-10-2-3-12(11-18)4-5-14(19)17-7-6-13-15-8-9-16-13;2*2-1-3/h8-9,12H,2-7,10-11H2,1H3,(H,15,16)(H,17,19);2*1H,(H,2,3)
InChIKeyMGGAMXRLDRTWHL-UHFFFAOYSA-N
XLogP0.59
TPSA135.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide
CID 72904285
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 136861496
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 97190017
4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide
CID 115620196
1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 119073659
3-[(3R)-1-methylpiperidin-3-yl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
CID 97203525
N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide
CID 115668473
6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide
CID 115649646
N-[3-[2-(1H-imidazol-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 115620229
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
7-amino-N-[2-(1H-imidazol-2-yl)ethyl]heptanamide
CID 113267585
2-[(2S,5R)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 166619412

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[2-(1H-imidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide?
The IUPAC name of formic acid;N-[2-(1H-imidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide (CID 154885465) is formic acid;N-[2-(1H-imidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for formic acid;N-[2-(1H-imidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide?
The canonical SMILES for formic acid;N-[2-(1H-imidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide is CN1CCCC(CCC(=O)NCCc2ncc[nH]2)C1.O=CO.O=CO.
What is the InChIKey of formic acid;N-[2-(1H-imidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide?
The InChIKey is MGGAMXRLDRTWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.2CH2O2/c1-18-10-2-3-12(11-18)4-5-14(19)17-7-6-13-15-8-9-16-13;2*2-1-3/h8-9,12H,2-7,10-11H2,1H3,(H,15,16)(H,17,19);2*1H,(H,2,3).
What are the key properties of formic acid;N-[2-(1H-imidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide?
formic acid;N-[2-(1H-imidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide has a molecular weight of 356.42 g/mol, XLogP of 0.59, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[2-(1H-imidazol-2-yl)ethyl]-3-(1-methylpiperidin-3-yl)propanamide is sourced from PubChem (CID 154885465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).