2-(N'-hydroxycarbamimidoyl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide

C14H28N4O2 — CID 76926774

IUPAC2-(N'-hydroxycarbamimidoyl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide
SMILESCCC(C(=O)NCCCN1CCCCC1C)C(N)=NO
InChIInChI=1S/C14H28N4O2/c1-3-12(13(15)17-20)14(19)16-8-6-10-18-9-5-4-7-11(18)2/h11-12,20H,3-10H2,1-2H3,(H2,15,17)(H,16,19)
InChIKeyMPWRAGYDMXFOHE-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.14
Rot. Bonds7

About 2-(N'-hydroxycarbamimidoyl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide

2-(N'-hydroxycarbamimidoyl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide (PubChem CID 76926774) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide
PubChem CID76926774
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide
SMILESCCC(C(=O)NCCCN1CCCCC1C)C(N)=NO
InChIInChI=1S/C14H28N4O2/c1-3-12(13(15)17-20)14(19)16-8-6-10-18-9-5-4-7-11(18)2/h11-12,20H,3-10H2,1-2H3,(H2,15,17)(H,16,19)
InChIKeyMPWRAGYDMXFOHE-UHFFFAOYSA-N
XLogP1.14
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.14
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(N'-hydroxycarbamimidoyl)-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 76923658
3-amino-3-hydroxyimino-2,2-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
CID 76920555
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide
CID 61148247
(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
CID 104902575
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide;dihydrochloride
CID 119834632
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid
CID 64894440
N'-hydroxy-2-(2-methylpiperidine-1-carbonyl)butanimidamide
CID 76926751
2-methyl-N-[2-[[N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]propanamide
CID 111371125
2-[[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]methyl]butanoic acid
CID 65219331
2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
CID 119834613
N'-hydroxy-5-(2-methylpiperidin-1-yl)pentanimidamide
CID 109374519

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide (CID 76926774) is 2-(N'-hydroxycarbamimidoyl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide is CCC(C(=O)NCCCN1CCCCC1C)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide?
The InChIKey is MPWRAGYDMXFOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-3-12(13(15)17-20)14(19)16-8-6-10-18-9-5-4-7-11(18)2/h11-12,20H,3-10H2,1-2H3,(H2,15,17)(H,16,19).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide?
2-(N'-hydroxycarbamimidoyl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide has a molecular weight of 284.40 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide is sourced from PubChem (CID 76926774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).