3-(1-adamantylcarbamoylamino)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride

C20H35ClN4O2 — CID 119443814

IUPAC3-(1-adamantylcarbamoylamino)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCN(C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)C1CCNCC1.Cl
InChIInChI=1S/C20H34N4O2.ClH/c1-24(17-2-5-21-6-3-17)18(25)4-7-22-19(26)23-20-11-14-8-15(12-20)10-16(9-14)13-20;/h14-17,21H,2-13H2,1H3,(H2,22,23,26);1H
InChIKeyHPHSJUWUVUDLIF-UHFFFAOYSA-N
MW398.98 g/mol
LogP2.28
Rot. Bonds5

About 3-(1-adamantylcarbamoylamino)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride

3-(1-adamantylcarbamoylamino)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride (PubChem CID 119443814) has the molecular formula C20H35ClN4O2 and a molecular weight of 398.98 g/mol. Its IUPAC name is 3-(1-adamantylcarbamoylamino)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(1-adamantylcarbamoylamino)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
PubChem CID119443814
Molecular FormulaC20H35ClN4O2
Molecular Weight398.98 g/mol
Exact Mass398.24
IUPAC Name3-(1-adamantylcarbamoylamino)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCN(C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)C1CCNCC1.Cl
InChIInChI=1S/C20H34N4O2.ClH/c1-24(17-2-5-21-6-3-17)18(25)4-7-22-19(26)23-20-11-14-8-15(12-20)10-16(9-14)13-20;/h14-17,21H,2-13H2,1H3,(H2,22,23,26);1H
InChIKeyHPHSJUWUVUDLIF-UHFFFAOYSA-N
XLogP2.28
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.98
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-adamantylcarbamoylamino)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532426
2-(1-adamantyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442602
1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea
CID 3726783
3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120601314
3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601315
3-(1-adamantylcarbamoylamino)-N-(8-azabicyclo[3.2.1]octan-3-yl)propanamide;hydrochloride
CID 119458641
2-hydroxy-N-methyl-N-piperidin-4-ylacetamide
CID 89098845
3-(1-adamantylcarbamoylamino)-N-(8-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 119458642
4-bromo-N-[3-[methyl(piperidin-4-yl)amino]-3-oxopropyl]benzamide
CID 119443848
N-methyl-N-piperidin-4-ylheptanamide
CID 115736784
3-cyclopropyl-N-methyl-N-piperidin-4-ylpropanamide
CID 119441464
4-[3-(1-adamantylcarbamoylamino)propanoylamino]-4-methylpentanoic acid
CID 119204442

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylcarbamoylamino)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride?
The IUPAC name of 3-(1-adamantylcarbamoylamino)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride (CID 119443814) is 3-(1-adamantylcarbamoylamino)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(1-adamantylcarbamoylamino)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(1-adamantylcarbamoylamino)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride is CN(C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)C1CCNCC1.Cl.
What is the InChIKey of 3-(1-adamantylcarbamoylamino)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride?
The InChIKey is HPHSJUWUVUDLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2.ClH/c1-24(17-2-5-21-6-3-17)18(25)4-7-22-19(26)23-20-11-14-8-15(12-20)10-16(9-14)13-20;/h14-17,21H,2-13H2,1H3,(H2,22,23,26);1H.
What are the key properties of 3-(1-adamantylcarbamoylamino)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride?
3-(1-adamantylcarbamoylamino)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride has a molecular weight of 398.98 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylcarbamoylamino)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride is sourced from PubChem (CID 119443814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).