3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-3-yl)propanamide

C20H34N4O2 — CID 120576698

IUPAC3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-3-yl)propanamide
SMILESCC1NCCCC1NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H34N4O2/c1-13-17(3-2-5-21-13)23-18(25)4-6-22-19(26)24-20-10-14-7-15(11-20)9-16(8-14)12-20/h13-17,21H,2-12H2,1H3,(H,23,25)(H2,22,24,26)
InChIKeyWYKRYDWYPZZOAN-UHFFFAOYSA-N
MW362.52 g/mol
LogP1.90
Rot. Bonds5

About 3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-3-yl)propanamide

3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-3-yl)propanamide (PubChem CID 120576698) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-3-yl)propanamide
PubChem CID120576698
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-3-yl)propanamide
SMILESCC1NCCCC1NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H34N4O2/c1-13-17(3-2-5-21-13)23-18(25)4-6-22-19(26)24-20-10-14-7-15(11-20)9-16(8-14)12-20/h13-17,21H,2-12H2,1H3,(H,23,25)(H2,22,24,26)
InChIKeyWYKRYDWYPZZOAN-UHFFFAOYSA-N
XLogP1.90
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601315
3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120601314
3-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride
CID 120573407
3-(1-adamantylcarbamoylamino)-N-(8-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 119458642
3-(1-adamantylcarbamoylamino)-N-(8-azabicyclo[3.2.1]octan-3-yl)propanamide;hydrochloride
CID 119458641
5-methoxy-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120575880
N-(2-methylpiperidin-3-yl)hex-5-enamide
CID 120576314
3-(1-adamantylcarbamoylamino)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443814
3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide
CID 79042098
3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide
CID 120505636
3-(1-adamantylcarbamoylamino)-N-(2-amino-2-ethylbutyl)propanamide
CID 119643008
3-(1-adamantylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 46564892

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-3-yl)propanamide?
The IUPAC name of 3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-3-yl)propanamide (CID 120576698) is 3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-3-yl)propanamide?
The canonical SMILES for 3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-3-yl)propanamide is CC1NCCCC1NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-3-yl)propanamide?
The InChIKey is WYKRYDWYPZZOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-13-17(3-2-5-21-13)23-18(25)4-6-22-19(26)24-20-10-14-7-15(11-20)9-16(8-14)12-20/h13-17,21H,2-12H2,1H3,(H,23,25)(H2,22,24,26).
What are the key properties of 3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-3-yl)propanamide?
3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-3-yl)propanamide has a molecular weight of 362.52 g/mol, XLogP of 1.90, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-3-yl)propanamide is sourced from PubChem (CID 120576698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).