benzyl N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate

C21H29N3O4 — CID 42697137

IUPACbenzyl N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
SMILESO=C(CCNC(=O)OCc1ccccc1)NCC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H29N3O4/c25-19(8-11-22-21(27)28-15-17-4-2-1-3-5-17)23-14-16-9-12-24(13-10-16)20(26)18-6-7-18/h1-5,16,18H,6-15H2,(H,22,27)(H,23,25)
InChIKeyICZCLCIJKNASQD-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.07
Rot. Bonds8

About benzyl N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate

benzyl N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate (PubChem CID 42697137) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is benzyl N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
PubChem CID42697137
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Namebenzyl N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
SMILESO=C(CCNC(=O)OCc1ccccc1)NCC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H29N3O4/c25-19(8-11-22-21(27)28-15-17-4-2-1-3-5-17)23-14-16-9-12-24(13-10-16)20(26)18-6-7-18/h1-5,16,18H,6-15H2,(H,22,27)(H,23,25)
InChIKeyICZCLCIJKNASQD-UHFFFAOYSA-N
XLogP2.07
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
tert-butyl N-[3-[[1-(cyclohexanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
CID 108919227
4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 139534540
benzyl N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]carbamate
CID 112502827
tert-butyl 4-(phenylmethoxycarbonylaminomethyl)azepane-1-carboxylate
CID 137424963
benzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate
CID 69455097
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659
cyclopropyl-(4-phenylmethoxypiperazin-1-yl)methanone
CID 118075267
benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]carbamate
CID 96553995
benzyl N-[[(3R)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]carbamate
CID 96553994
benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate
CID 71243330
benzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate
CID 66773233

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate?
The IUPAC name of benzyl N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate (CID 42697137) is benzyl N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate.
What is the SMILES notation for benzyl N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate?
The canonical SMILES for benzyl N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate is O=C(CCNC(=O)OCc1ccccc1)NCC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of benzyl N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate?
The InChIKey is ICZCLCIJKNASQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c25-19(8-11-22-21(27)28-15-17-4-2-1-3-5-17)23-14-16-9-12-24(13-10-16)20(26)18-6-7-18/h1-5,16,18H,6-15H2,(H,22,27)(H,23,25).
What are the key properties of benzyl N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate?
benzyl N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate has a molecular weight of 387.48 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate is sourced from PubChem (CID 42697137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).