2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanediamide

C15H23N5O3S — CID 48964508

IUPAC2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanediamide
SMILESNC(=O)C(NC(=O)NCC1CCN(Cc2cccs2)CC1)C(N)=O
InChIInChI=1S/C15H23N5O3S/c16-13(21)12(14(17)22)19-15(23)18-8-10-3-5-20(6-4-10)9-11-2-1-7-24-11/h1-2,7,10,12H,3-6,8-9H2,(H2,16,21)(H2,17,22)(H2,18,19,23)
InChIKeyANJLKNJTUYZZDX-UHFFFAOYSA-N
MW353.45 g/mol
LogP-0.40
Rot. Bonds7

About 2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanediamide

2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanediamide (PubChem CID 48964508) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanediamide.

Molecular Properties

Compound Name2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanediamide
PubChem CID48964508
Molecular FormulaC15H23N5O3S
Molecular Weight353.45 g/mol
Exact Mass353.15
IUPAC Name2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanediamide
SMILESNC(=O)C(NC(=O)NCC1CCN(Cc2cccs2)CC1)C(N)=O
InChIInChI=1S/C15H23N5O3S/c16-13(21)12(14(17)22)19-15(23)18-8-10-3-5-20(6-4-10)9-11-2-1-7-24-11/h1-2,7,10,12H,3-6,8-9H2,(H2,16,21)(H2,17,22)(H2,18,19,23)
InChIKeyANJLKNJTUYZZDX-UHFFFAOYSA-N
XLogP-0.40
TPSA130.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanamide
CID 49133501
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422
N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 49056517
4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea
CID 48964547
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea
CID 48964603
2-methyl-1-propan-2-yl-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]guanidine
CID 111125522
(3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 94820546
2-amino-2-(4-methylphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 120669950
(2R)-2-ethoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 95149836
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 59074854

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanediamide?
The IUPAC name of 2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanediamide (CID 48964508) is 2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanediamide.
What is the SMILES notation for 2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanediamide?
The canonical SMILES for 2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanediamide is NC(=O)C(NC(=O)NCC1CCN(Cc2cccs2)CC1)C(N)=O.
What is the InChIKey of 2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanediamide?
The InChIKey is ANJLKNJTUYZZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3S/c16-13(21)12(14(17)22)19-15(23)18-8-10-3-5-20(6-4-10)9-11-2-1-7-24-11/h1-2,7,10,12H,3-6,8-9H2,(H2,16,21)(H2,17,22)(H2,18,19,23).
What are the key properties of 2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanediamide?
2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanediamide has a molecular weight of 353.45 g/mol, XLogP of -0.40, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylcarbamoylamino]propanediamide is sourced from PubChem (CID 48964508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).