N-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide

C21H33N3O — CID 94637916

IUPACN-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CN1CCC(C(=O)NC[C@H]2CCN(C)c3ccccc32)CC1
InChIInChI=1S/C21H33N3O/c1-16(2)15-24-12-9-17(10-13-24)21(25)22-14-18-8-11-23(3)20-7-5-4-6-19(18)20/h4-7,16-18H,8-15H2,1-3H3,(H,22,25)/t18-/m1/s1
InChIKeyYZNYEDHAYPQJER-GOSISDBHSA-N
MW343.52 g/mol
LogP3.09
Rot. Bonds5

About N-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide

N-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 94637916) has the molecular formula C21H33N3O and a molecular weight of 343.52 g/mol. Its IUPAC name is N-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID94637916
Molecular FormulaC21H33N3O
Molecular Weight343.52 g/mol
Exact Mass343.26
IUPAC NameN-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CN1CCC(C(=O)NC[C@H]2CCN(C)c3ccccc32)CC1
InChIInChI=1S/C21H33N3O/c1-16(2)15-24-12-9-17(10-13-24)21(25)22-14-18-8-11-23(3)20-7-5-4-6-19(18)20/h4-7,16-18H,8-15H2,1-3H3,(H,22,25)/t18-/m1/s1
InChIKeyYZNYEDHAYPQJER-GOSISDBHSA-N
XLogP3.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
CID 52516273
(2S)-N-[(2S)-butan-2-yl]-2-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylcarbamoylamino]propanamide
CID 124839666
N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride
CID 175798453
1-[(3-hydroxycyclopentyl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea
CID 102562629
N,1-bis(2-methylpropyl)piperidine-4-carboxamide
CID 883892
methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate
CID 115031353
N-methyl-N-[2-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methylamino]-2-oxoethyl]prop-2-enamide
CID 167925297
1-acetyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-4-carboxamide
CID 110741365
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea
CID 47866062
N-benzyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine
CID 126827020
N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 47067999
N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 95290703

Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of N-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide (CID 94637916) is N-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide is CC(C)CN1CCC(C(=O)NC[C@H]2CCN(C)c3ccccc32)CC1.
What is the InChIKey of N-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is YZNYEDHAYPQJER-GOSISDBHSA-N. The full InChI is InChI=1S/C21H33N3O/c1-16(2)15-24-12-9-17(10-13-24)21(25)22-14-18-8-11-23(3)20-7-5-4-6-19(18)20/h4-7,16-18H,8-15H2,1-3H3,(H,22,25)/t18-/m1/s1.
What are the key properties of N-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide?
N-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 343.52 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 94637916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).