N-(3-amino-3-iminopropyl)-1-methylpiperidine-4-carboxamide

C10H20N4O — CID 90084974

IUPACN-(3-amino-3-iminopropyl)-1-methylpiperidine-4-carboxamide
SMILES[H]/N=C(\N)CCNC(=O)C1CCN(C)CC1
InChIInChI=1S/C10H20N4O/c1-14-6-3-8(4-7-14)10(15)13-5-2-9(11)12/h8H,2-7H2,1H3,(H3,11,12)(H,13,15)
InChIKeyIXXGIRVIQMHFBR-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.23
Rot. Bonds4

About N-(3-amino-3-iminopropyl)-1-methylpiperidine-4-carboxamide

N-(3-amino-3-iminopropyl)-1-methylpiperidine-4-carboxamide (PubChem CID 90084974) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N-(3-amino-3-iminopropyl)-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-iminopropyl)-1-methylpiperidine-4-carboxamide
PubChem CID90084974
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN-(3-amino-3-iminopropyl)-1-methylpiperidine-4-carboxamide
SMILES[H]/N=C(\N)CCNC(=O)C1CCN(C)CC1
InChIInChI=1S/C10H20N4O/c1-14-6-3-8(4-7-14)10(15)13-5-2-9(11)12/h8H,2-7H2,1H3,(H3,11,12)(H,13,15)
InChIKeyIXXGIRVIQMHFBR-UHFFFAOYSA-N
XLogP-0.23
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-Piperidin-4-ylethanimidoyl)pyrrolidin-2-one
CID 57157468
1-(2-Methylpropanimidoyl)piperidine-4-carboxamide
CID 57640410
1-Acetylpiperidine-4-carboximidamide
CID 71432920
1-Propanoylpiperidine-4-carboximidamide
CID 89145196
N-[2-(1-aminoethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide
CID 90084985
1-(2-Methylpropanoyl)piperidine-4-carboximidamide
CID 99975645
N-(3-amino-3-iminopropyl)piperidine-4-carboxamide
CID 130388646
(1-Amino-2-methylpropylidene)-(piperidine-4-carbonyl)azanium
CID 144413215
1-Aminopropylidene(piperidine-4-carbonyl)azanium
CID 144413235
N-(2-methylpropanimidoyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 145380362
1-methyl-N-(2-methylpropanimidoyl)piperidine-4-carboxamide
CID 145380383
Diaminomethylidene-[3-[3-(4-ethylpiperidin-1-yl)propanoylamino]propyl]azanium
CID 153457242

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-iminopropyl)-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-(3-amino-3-iminopropyl)-1-methylpiperidine-4-carboxamide (CID 90084974) is N-(3-amino-3-iminopropyl)-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-iminopropyl)-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-amino-3-iminopropyl)-1-methylpiperidine-4-carboxamide is [H]/N=C(\N)CCNC(=O)C1CCN(C)CC1.
What is the InChIKey of N-(3-amino-3-iminopropyl)-1-methylpiperidine-4-carboxamide?
The InChIKey is IXXGIRVIQMHFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-14-6-3-8(4-7-14)10(15)13-5-2-9(11)12/h8H,2-7H2,1H3,(H3,11,12)(H,13,15).
What are the key properties of N-(3-amino-3-iminopropyl)-1-methylpiperidine-4-carboxamide?
N-(3-amino-3-iminopropyl)-1-methylpiperidine-4-carboxamide has a molecular weight of 212.30 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-iminopropyl)-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 90084974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).