2-[[N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide

C16H29N5O2 — CID 119158319

IUPAC2-[[N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
SMILESC/N=C(\NCC(=O)NC(C)C)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H29N5O2/c1-11(2)19-14(22)10-18-16(17-3)20-13-6-8-21(9-7-13)15(23)12-4-5-12/h11-13H,4-10H2,1-3H3,(H,19,22)(H2,17,18,20)
InChIKeyNUGPBTWWJXFJIS-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.08
Rot. Bonds5

About 2-[[N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide

2-[[N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide (PubChem CID 119158319) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[[N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
PubChem CID119158319
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC Name2-[[N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
SMILESC/N=C(\NCC(=O)NC(C)C)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H29N5O2/c1-11(2)19-14(22)10-18-16(17-3)20-13-6-8-21(9-7-13)15(23)12-4-5-12/h11-13H,4-10H2,1-3H3,(H,19,22)(H2,17,18,20)
InChIKeyNUGPBTWWJXFJIS-UHFFFAOYSA-N
XLogP0.08
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.08
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

2-[[N-(4-ethylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119158353
2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119150643
1-cyclohexyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 119115673
N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide
CID 110934905
2-[[N-[1-(2-bromophenyl)pyrrolidin-3-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119150786
2-[[N'-methyl-N-(6-oxopiperidin-3-yl)carbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119158441
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methyl-3-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide
CID 119156066
2-[[N'-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamimidoyl]amino]-N-phenylacetamide
CID 111316874
3-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide
CID 110992517
2-(butan-2-ylamino)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide
CID 60853761
ethyl 4-[[N-(2-anilino-2-oxoethyl)-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111327744
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(propan-2-ylamino)propanamide
CID 60853818

Frequently Asked Questions

What is the IUPAC name of 2-[[N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide (CID 119158319) is 2-[[N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide is C/N=C(\NCC(=O)NC(C)C)NC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 2-[[N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide?
The InChIKey is NUGPBTWWJXFJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-11(2)19-14(22)10-18-16(17-3)20-13-6-8-21(9-7-13)15(23)12-4-5-12/h11-13H,4-10H2,1-3H3,(H,19,22)(H2,17,18,20).
What are the key properties of 2-[[N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide?
2-[[N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide has a molecular weight of 323.44 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 119158319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).