3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide

C20H29N3O2 — CID 120578567

IUPAC3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H29N3O2/c21-11-10-19(24)22-14-18-7-3-4-12-23(18)20(25)17-9-8-15-5-1-2-6-16(15)13-17/h8-9,13,18H,1-7,10-12,14,21H2,(H,22,24)
InChIKeyUNOOEVZDYKDQBF-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.03
Rot. Bonds5

About 3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide (PubChem CID 120578567) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide
PubChem CID120578567
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H29N3O2/c21-11-10-19(24)22-14-18-7-3-4-12-23(18)20(25)17-9-8-15-5-1-2-6-16(15)13-17/h8-9,13,18H,1-7,10-12,14,21H2,(H,22,24)
InChIKeyUNOOEVZDYKDQBF-UHFFFAOYSA-N
XLogP2.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-(3,4-dichlorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578289
3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578179
3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580275
3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578206
3-amino-N-[[1-(3-methylsulfonylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580317
[2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 43421306
3-amino-N-[[1-[3-(difluoromethoxy)benzoyl]piperidin-2-yl]methyl]propanamide
CID 120578293
3-amino-N-[[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578898
3-amino-N-[[1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578315
3-amino-N-[[1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120578314
3-amino-N-[[1-(4-prop-2-enoxybenzoyl)piperidin-2-yl]methyl]propanamide
CID 120579129
3-amino-N-[[1-[4-(2-methoxyethoxy)benzoyl]piperidin-2-yl]methyl]propanamide
CID 120579907

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide (CID 120578567) is 3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide is NCCC(=O)NCC1CCCCN1C(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide?
The InChIKey is UNOOEVZDYKDQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c21-11-10-19(24)22-14-18-7-3-4-12-23(18)20(25)17-9-8-15-5-1-2-6-16(15)13-17/h8-9,13,18H,1-7,10-12,14,21H2,(H,22,24).
What are the key properties of 3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide has a molecular weight of 343.47 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120578567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).