2-[1-[5-(diaminomethylideneamino)pentanoyl]piperidin-3-yl]oxy-2-methylpropanamide

C15H29N5O3 — CID 173253387

IUPAC2-[1-[5-(diaminomethylideneamino)pentanoyl]piperidin-3-yl]oxy-2-methylpropanamide
SMILESCC(C)(OC1CCCN(C(=O)CCCCN=C(N)N)C1)C(N)=O
InChIInChI=1S/C15H29N5O3/c1-15(2,13(16)22)23-11-6-5-9-20(10-11)12(21)7-3-4-8-19-14(17)18/h11H,3-10H2,1-2H3,(H2,16,22)(H4,17,18,19)
InChIKeySVCDOQJBIWOHFN-UHFFFAOYSA-N
MW327.43 g/mol
LogP-0.30
Rot. Bonds8

About 2-[1-[5-(diaminomethylideneamino)pentanoyl]piperidin-3-yl]oxy-2-methylpropanamide

2-[1-[5-(diaminomethylideneamino)pentanoyl]piperidin-3-yl]oxy-2-methylpropanamide (PubChem CID 173253387) has the molecular formula C15H29N5O3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[1-[5-(diaminomethylideneamino)pentanoyl]piperidin-3-yl]oxy-2-methylpropanamide.

Molecular Properties

Compound Name2-[1-[5-(diaminomethylideneamino)pentanoyl]piperidin-3-yl]oxy-2-methylpropanamide
PubChem CID173253387
Molecular FormulaC15H29N5O3
Molecular Weight327.43 g/mol
Exact Mass327.23
IUPAC Name2-[1-[5-(diaminomethylideneamino)pentanoyl]piperidin-3-yl]oxy-2-methylpropanamide
SMILESCC(C)(OC1CCCN(C(=O)CCCCN=C(N)N)C1)C(N)=O
InChIInChI=1S/C15H29N5O3/c1-15(2,13(16)22)23-11-6-5-9-20(10-11)12(21)7-3-4-8-19-14(17)18/h11H,3-10H2,1-2H3,(H2,16,22)(H4,17,18,19)
InChIKeySVCDOQJBIWOHFN-UHFFFAOYSA-N
XLogP-0.30
TPSA137.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
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': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

7-amino-1-(3-ethoxypiperidin-1-yl)heptan-1-one
CID 54990000
2-[6-[4-[dimethyl(methylidene)-λ5-phosphanyl]piperazin-1-yl]-6-oxohexyl]guanidine
CID 90824466
2-[6-[4-(methylsulfanylmethyl)piperazin-1-yl]-6-oxohexyl]guanidine
CID 123762989
4-chloro-1-(3-ethoxypiperidin-1-yl)butan-1-one
CID 63308584
5-chloro-1-(3-propoxypiperidin-1-yl)pentan-1-one
CID 61169567
2-[5-oxo-5-(2-phenylmorpholin-4-yl)pentyl]guanidine;dihydrochloride
CID 154851772
2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid
CID 129412716
1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one
CID 110935763
1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
CID 94842553
4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one
CID 102957567
ethyl (3S)-1-nonanoylpiperidine-3-carboxylate
CID 81338255

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(diaminomethylideneamino)pentanoyl]piperidin-3-yl]oxy-2-methylpropanamide?
The IUPAC name of 2-[1-[5-(diaminomethylideneamino)pentanoyl]piperidin-3-yl]oxy-2-methylpropanamide (CID 173253387) is 2-[1-[5-(diaminomethylideneamino)pentanoyl]piperidin-3-yl]oxy-2-methylpropanamide.
What is the SMILES notation for 2-[1-[5-(diaminomethylideneamino)pentanoyl]piperidin-3-yl]oxy-2-methylpropanamide?
The canonical SMILES for 2-[1-[5-(diaminomethylideneamino)pentanoyl]piperidin-3-yl]oxy-2-methylpropanamide is CC(C)(OC1CCCN(C(=O)CCCCN=C(N)N)C1)C(N)=O.
What is the InChIKey of 2-[1-[5-(diaminomethylideneamino)pentanoyl]piperidin-3-yl]oxy-2-methylpropanamide?
The InChIKey is SVCDOQJBIWOHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O3/c1-15(2,13(16)22)23-11-6-5-9-20(10-11)12(21)7-3-4-8-19-14(17)18/h11H,3-10H2,1-2H3,(H2,16,22)(H4,17,18,19).
What are the key properties of 2-[1-[5-(diaminomethylideneamino)pentanoyl]piperidin-3-yl]oxy-2-methylpropanamide?
2-[1-[5-(diaminomethylideneamino)pentanoyl]piperidin-3-yl]oxy-2-methylpropanamide has a molecular weight of 327.43 g/mol, XLogP of -0.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(diaminomethylideneamino)pentanoyl]piperidin-3-yl]oxy-2-methylpropanamide is sourced from PubChem (CID 173253387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).