2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride

C19H31Cl2N3O — CID 119844580

IUPAC2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CC1)NC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H29N3O.2ClH/c23-19(15-20-14-17-6-7-17)21-18-9-12-22(13-10-18)11-8-16-4-2-1-3-5-16;;/h1-5,17-18,20H,6-15H2,(H,21,23);2*1H
InChIKeyCQFJCRVAKMAHLR-UHFFFAOYSA-N
MW388.38 g/mol
LogP2.65
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride

2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride (PubChem CID 119844580) has the molecular formula C19H31Cl2N3O and a molecular weight of 388.38 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride
PubChem CID119844580
Molecular FormulaC19H31Cl2N3O
Molecular Weight388.38 g/mol
Exact Mass387.18
IUPAC Name2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CC1)NC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H29N3O.2ClH/c23-19(15-20-14-17-6-7-17)21-18-9-12-22(13-10-18)11-8-16-4-2-1-3-5-16;;/h1-5,17-18,20H,6-15H2,(H,21,23);2*1H
InChIKeyCQFJCRVAKMAHLR-UHFFFAOYSA-N
XLogP2.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 118877840
2-(cyclopropylmethylamino)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride
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N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
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2-(cyclopropylmethylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 119901369
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
N-(1-benzylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119827623
2-(cyclopropylmethylamino)-N-(1-ethylpiperidin-4-yl)acetamide
CID 54917428
2-(cyclopropylmethylamino)-N-(2-methyl-4-phenylbutan-2-yl)acetamide;hydrochloride
CID 119772417
1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one
CID 91066531
N-cyclopropyl-2-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]acetamide
CID 56893950

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride (CID 119844580) is 2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride is Cl.Cl.O=C(CNCC1CC1)NC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride?
The InChIKey is CQFJCRVAKMAHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.2ClH/c23-19(15-20-14-17-6-7-17)21-18-9-12-22(13-10-18)11-8-16-4-2-1-3-5-16;;/h1-5,17-18,20H,6-15H2,(H,21,23);2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride?
2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride has a molecular weight of 388.38 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119844580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).