N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

C19H28ClN3O3 — CID 119792412

IUPACN-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)CCNCC1.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-14(23)22(17-7-8-17)13-15-3-5-16(6-4-15)21-18(24)19(25-2)9-11-20-12-10-19;/h3-6,17,20H,7-13H2,1-2H3,(H,21,24);1H
InChIKeyUZPSGMSFPLNTJP-UHFFFAOYSA-N
MW381.90 g/mol
LogP2.33
Rot. Bonds6

About N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119792412) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119792412
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC NameN-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)CCNCC1.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-14(23)22(17-7-8-17)13-15-3-5-16(6-4-15)21-18(24)19(25-2)9-11-20-12-10-19;/h3-6,17,20H,7-13H2,1-2H3,(H,21,24);1H
InChIKeyUZPSGMSFPLNTJP-UHFFFAOYSA-N
XLogP2.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
N-(4-cyclopentyloxyphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119714806
4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119671002
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119700736
4-methoxy-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119672814
4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119752834
N-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119680034
N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
N-[4-(cyclohexylmethoxy)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119763434
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119713374
4-methoxy-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119860883

Frequently Asked Questions

What is the IUPAC name of N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119792412) is N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is COC1(C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)CCNCC1.Cl.
What is the InChIKey of N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is UZPSGMSFPLNTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3.ClH/c1-14(23)22(17-7-8-17)13-15-3-5-16(6-4-15)21-18(24)19(25-2)9-11-20-12-10-19;/h3-6,17,20H,7-13H2,1-2H3,(H,21,24);1H.
What are the key properties of N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119792412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).